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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F2O
Molecular Weight 260.2786
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Fluoro-?-cyclopropyl-?-(4-fluorophenyl)-benzylic alcohol

SMILES

OC(C1CC1)(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=YAKFETHTYBAIJR-UHFFFAOYSA-N
InChI=1S/C16H14F2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2

HIDE SMILES / InChI

Molecular Formula C16H14F2O
Molecular Weight 260.2786
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:48:42 GMT 2025
Edited
by admin
on Tue Apr 01 18:48:42 GMT 2025
Record UNII
R7E73A4QH7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-78476
Preferred Name English
4-Fluoro-?-cyclopropyl-?-(4-fluorophenyl)-benzylic alcohol
Common Name English
Benzenemethanol, ?-cyclopropyl-4-fluoro-?-(4-fluorophenyl)-
Systematic Name English
?-Cyclopropyl-4-fluoro-?-(4-fluorophenyl)benzenemethanol
Systematic Name English
Code System Code Type Description
PUBCHEM
67930
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-049-9
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY
NSC
78476
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY
CAS
427-53-2
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID50195394
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY
FDA UNII
R7E73A4QH7
Created by admin on Tue Apr 01 18:48:42 GMT 2025 , Edited by admin on Tue Apr 01 18:48:42 GMT 2025
PRIMARY