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

Details

Stereochemistry ABSOLUTE
Molecular Formula C3H5Cl3O
Molecular Weight 163.43
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,1-TRICHLORO-2-PROPANOL, (S)-

SMILES

C[C@H](O)C(Cl)(Cl)Cl

InChI

InChIKey=HCMBPASAOZIEDZ-REOHCLBHSA-N
InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1

HIDE SMILES / InChI

Molecular Formula C3H5Cl3O
Molecular Weight 163.43
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:43:52 GMT 2025
Edited
by admin
on Mon Mar 31 22:43:52 GMT 2025
Record UNII
9ID1GE7U77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-1,1,1-TRICHLORO-2-PROPANOL
Preferred Name English
1,1,1-TRICHLORO-2-PROPANOL, (S)-
Systematic Name English
2-PROPANOL, 1,1,1-TRICHLORO-, (2S)-
Systematic Name English
1,1,1-TRICHLORO-2-PROPANOL, (-)-
Systematic Name English
Code System Code Type Description
FDA UNII
9ID1GE7U77
Created by admin on Mon Mar 31 22:43:52 GMT 2025 , Edited by admin on Mon Mar 31 22:43:52 GMT 2025
PRIMARY
PUBCHEM
6999056
Created by admin on Mon Mar 31 22:43:52 GMT 2025 , Edited by admin on Mon Mar 31 22:43:52 GMT 2025
PRIMARY
CAS
948828-05-5
Created by admin on Mon Mar 31 22:43:52 GMT 2025 , Edited by admin on Mon Mar 31 22:43:52 GMT 2025
PRIMARY