1,2-dichloro-2-fluoroethanol

C2H3Cl2FO — CID 57150808

IUPAC1,2-dichloro-2-fluoroethanol
SMILESOC(Cl)C(F)Cl
InChIInChI=1S/C2H3Cl2FO/c3-1(5)2(4)6/h1-2,6H
InChIKeyOIBTVSKUBQBEIL-UHFFFAOYSA-N
MW132.95 g/mol
LogP1.08
Rot. Bonds1

About 1,2-dichloro-2-fluoroethanol

1,2-dichloro-2-fluoroethanol (PubChem CID 57150808) has the molecular formula C2H3Cl2FO and a molecular weight of 132.95 g/mol. Its IUPAC name is 1,2-dichloro-2-fluoroethanol.

Molecular Properties

Compound Name1,2-dichloro-2-fluoroethanol
PubChem CID57150808
Molecular FormulaC2H3Cl2FO
Molecular Weight132.95 g/mol
Exact Mass131.95
IUPAC Name1,2-dichloro-2-fluoroethanol
SMILESOC(Cl)C(F)Cl
InChIInChI=1S/C2H3Cl2FO/c3-1(5)2(4)6/h1-2,6H
InChIKeyOIBTVSKUBQBEIL-UHFFFAOYSA-N
XLogP1.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.95
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,2-dichloro-2-fluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2-Trichloroethanol
CID 119427
Ethanol, 1,2-dichloro-
CID 156449
2-Chloro-2-fluoroethan-1-ol
CID 18517415
1,2-Dichloro-2,2-difluoroethanol
CID 57120530
1,2,2-Trichloro-2-fluoroethanol
CID 21552516
1,2-Dichloro-1-fluoroethanol
CID 21612591
2-Chloro-1-fluoroethanol
CID 21616667
2,2-Dichloro-1-fluoroethanol
CID 21985750
2-Chloro-1,2-difluoroethanol
CID 53783293
(2S)-2-chloro-2-fluoroethanol
CID 101919329
(2R)-2-chloro-2-fluoroethanol
CID 101919330

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-2-fluoroethanol?
The IUPAC name of 1,2-dichloro-2-fluoroethanol (CID 57150808) is 1,2-dichloro-2-fluoroethanol.
What is the SMILES notation for 1,2-dichloro-2-fluoroethanol?
The canonical SMILES for 1,2-dichloro-2-fluoroethanol is OC(Cl)C(F)Cl.
What is the InChIKey of 1,2-dichloro-2-fluoroethanol?
The InChIKey is OIBTVSKUBQBEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl2FO/c3-1(5)2(4)6/h1-2,6H.
What are the key properties of 1,2-dichloro-2-fluoroethanol?
1,2-dichloro-2-fluoroethanol has a molecular weight of 132.95 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-2-fluoroethanol is sourced from PubChem (CID 57150808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).