U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15F5O2
Molecular Weight 346.2918
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAFLURANOL

SMILES

C[C@H]([C@H](CC(F)(F)F)C1=CC=C(O)C(F)=C1)C2=CC=C(O)C(F)=C2

InChI

InChIKey=PRRSFMGODMUPJN-CABZTGNLSA-N
InChI=1S/C17H15F5O2/c1-9(10-2-4-15(23)13(18)6-10)12(8-17(20,21)22)11-3-5-16(24)14(19)7-11/h2-7,9,12,23-24H,8H2,1H3/t9-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H15F5O2
Molecular Weight 346.2918
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:43 GMT 2023
Edited
by admin
on Fri Dec 15 15:55:43 GMT 2023
Record UNII
95RFZ48151
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAFLURANOL
INN  
INN  
Official Name English
4,4'-((1R,2S)-1-METHYL-2-(2,2,2-TRIFLUOROETHYL)ETHYLENE)BIS(2-FLUOROPHENOL)
Systematic Name English
pentafluranol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2182
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
Code System Code Type Description
WIKIPEDIA
Pentafluranol
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105409
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
INN
4376
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
EVMPD
SUB09677MIG
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
CAS
65634-39-1
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID001024356
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
NCI_THESAURUS
C76825
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
PUBCHEM
20055521
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
SMS_ID
100000082505
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
FDA UNII
95RFZ48151
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY