2-chloro-1,1-difluoroethane-1,2-diol

C2H3ClF2O2 — CID 54064876

IUPAC2-chloro-1,1-difluoroethane-1,2-diol
SMILESOC(Cl)C(O)(F)F
InChIInChI=1S/C2H3ClF2O2/c3-1(6)2(4,5)7/h1,6-7H
InChIKeyRAVGTQUBDIZFQB-UHFFFAOYSA-N
MW132.49 g/mol
LogP0.13
Rot. Bonds1

About 2-chloro-1,1-difluoroethane-1,2-diol

2-chloro-1,1-difluoroethane-1,2-diol (PubChem CID 54064876) has the molecular formula C2H3ClF2O2 and a molecular weight of 132.49 g/mol. Its IUPAC name is 2-chloro-1,1-difluoroethane-1,2-diol.

Molecular Properties

Compound Name2-chloro-1,1-difluoroethane-1,2-diol
PubChem CID54064876
Molecular FormulaC2H3ClF2O2
Molecular Weight132.49 g/mol
Exact Mass131.98
IUPAC Name2-chloro-1,1-difluoroethane-1,2-diol
SMILESOC(Cl)C(O)(F)F
InChIInChI=1S/C2H3ClF2O2/c3-1(6)2(4,5)7/h1,6-7H
InChIKeyRAVGTQUBDIZFQB-UHFFFAOYSA-N
XLogP0.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.49
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-2-[chloro(difluoro)methoxy]ethanol
CID 57286084
1-Chloro-2-fluoroethane-1,2-diol
CID 57480921
1-Chloro-2-(difluoromethoxy)-2-fluoroethanol
CID 174992444
1-Chloro-2-[chloro(difluoro)methoxy]ethanol
CID 174994741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-difluoroethane-1,2-diol?
The IUPAC name of 2-chloro-1,1-difluoroethane-1,2-diol (CID 54064876) is 2-chloro-1,1-difluoroethane-1,2-diol.
What is the SMILES notation for 2-chloro-1,1-difluoroethane-1,2-diol?
The canonical SMILES for 2-chloro-1,1-difluoroethane-1,2-diol is OC(Cl)C(O)(F)F.
What is the InChIKey of 2-chloro-1,1-difluoroethane-1,2-diol?
The InChIKey is RAVGTQUBDIZFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2O2/c3-1(6)2(4,5)7/h1,6-7H.
What are the key properties of 2-chloro-1,1-difluoroethane-1,2-diol?
2-chloro-1,1-difluoroethane-1,2-diol has a molecular weight of 132.49 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluoroethane-1,2-diol is sourced from PubChem (CID 54064876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).