1,2-dichloro-2,2-difluoroethanol

C2H2Cl2F2O — CID 57120530

IUPAC1,2-dichloro-2,2-difluoroethanol
SMILESOC(Cl)C(F)(F)Cl
InChIInChI=1S/C2H2Cl2F2O/c3-1(7)2(4,5)6/h1,7H
InChIKeyLXUQASRPXFNYKD-UHFFFAOYSA-N
MW150.94 g/mol
LogP1.38
Rot. Bonds1

About 1,2-dichloro-2,2-difluoroethanol

1,2-dichloro-2,2-difluoroethanol (PubChem CID 57120530) has the molecular formula C2H2Cl2F2O and a molecular weight of 150.94 g/mol. Its IUPAC name is 1,2-dichloro-2,2-difluoroethanol.

Molecular Properties

Compound Name1,2-dichloro-2,2-difluoroethanol
PubChem CID57120530
Molecular FormulaC2H2Cl2F2O
Molecular Weight150.94 g/mol
Exact Mass149.95
IUPAC Name1,2-dichloro-2,2-difluoroethanol
SMILESOC(Cl)C(F)(F)Cl
InChIInChI=1S/C2H2Cl2F2O/c3-1(7)2(4,5)6/h1,7H
InChIKeyLXUQASRPXFNYKD-UHFFFAOYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.94
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-2,2-difluoroethanol?
The IUPAC name of 1,2-dichloro-2,2-difluoroethanol (CID 57120530) is 1,2-dichloro-2,2-difluoroethanol.
What is the SMILES notation for 1,2-dichloro-2,2-difluoroethanol?
The canonical SMILES for 1,2-dichloro-2,2-difluoroethanol is OC(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-2,2-difluoroethanol?
The InChIKey is LXUQASRPXFNYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2F2O/c3-1(7)2(4,5)6/h1,7H.
What are the key properties of 1,2-dichloro-2,2-difluoroethanol?
1,2-dichloro-2,2-difluoroethanol has a molecular weight of 150.94 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-2,2-difluoroethanol is sourced from PubChem (CID 57120530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).