2,3-dichloro-2,3-difluoropropan-1-ol

C3H4Cl2F2O — CID 11159512

IUPAC2,3-dichloro-2,3-difluoropropan-1-ol
SMILESOCC(F)(Cl)C(F)Cl
InChIInChI=1S/C3H4Cl2F2O/c4-2(6)3(5,7)1-8/h2,8H,1H2
InChIKeyLQNWCZOSOUKVMI-UHFFFAOYSA-N
MW164.97 g/mol
LogP1.42
Rot. Bonds2

About 2,3-dichloro-2,3-difluoropropan-1-ol

2,3-dichloro-2,3-difluoropropan-1-ol (PubChem CID 11159512) has the molecular formula C3H4Cl2F2O and a molecular weight of 164.97 g/mol. Its IUPAC name is 2,3-dichloro-2,3-difluoropropan-1-ol.

Molecular Properties

Compound Name2,3-dichloro-2,3-difluoropropan-1-ol
PubChem CID11159512
Molecular FormulaC3H4Cl2F2O
Molecular Weight164.97 g/mol
Exact Mass163.96
IUPAC Name2,3-dichloro-2,3-difluoropropan-1-ol
SMILESOCC(F)(Cl)C(F)Cl
InChIInChI=1S/C3H4Cl2F2O/c4-2(6)3(5,7)1-8/h2,8H,1H2
InChIKeyLQNWCZOSOUKVMI-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 51.42
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 2,3-dichloro-2,3-difluoropropan-1-ol?
The IUPAC name of 2,3-dichloro-2,3-difluoropropan-1-ol (CID 11159512) is 2,3-dichloro-2,3-difluoropropan-1-ol.
What is the SMILES notation for 2,3-dichloro-2,3-difluoropropan-1-ol?
The canonical SMILES for 2,3-dichloro-2,3-difluoropropan-1-ol is OCC(F)(Cl)C(F)Cl.
What is the InChIKey of 2,3-dichloro-2,3-difluoropropan-1-ol?
The InChIKey is LQNWCZOSOUKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2O/c4-2(6)3(5,7)1-8/h2,8H,1H2.
What are the key properties of 2,3-dichloro-2,3-difluoropropan-1-ol?
2,3-dichloro-2,3-difluoropropan-1-ol has a molecular weight of 164.97 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2,3-difluoropropan-1-ol is sourced from PubChem (CID 11159512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).