1,1-dichloro-1,3-difluoropropan-2-one

C3H2Cl2F2O — CID 139922174

IUPAC1,1-dichloro-1,3-difluoropropan-2-one
SMILESO=C(CF)C(F)(Cl)Cl
InChIInChI=1S/C3H2Cl2F2O/c4-3(5,7)2(8)1-6/h1H2
InChIKeyZCBPVHOSWQLECA-UHFFFAOYSA-N
MW162.95 g/mol
LogP1.63
Rot. Bonds2

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

1,1-dichloro-1,3-difluoropropan-2-one (PubChem CID 139922174) has the molecular formula C3H2Cl2F2O and a molecular weight of 162.95 g/mol. Its IUPAC name is 1,1-dichloro-1,3-difluoropropan-2-one.

Molecular Properties

Compound Name1,1-dichloro-1,3-difluoropropan-2-one
PubChem CID139922174
Molecular FormulaC3H2Cl2F2O
Molecular Weight162.95 g/mol
Exact Mass161.95
IUPAC Name1,1-dichloro-1,3-difluoropropan-2-one
SMILESO=C(CF)C(F)(Cl)Cl
InChIInChI=1S/C3H2Cl2F2O/c4-3(5,7)2(8)1-6/h1H2
InChIKeyZCBPVHOSWQLECA-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.95
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-1,3-difluoropropan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,3-difluoropropan-2-one?
The IUPAC name of 1,1-dichloro-1,3-difluoropropan-2-one (CID 139922174) is 1,1-dichloro-1,3-difluoropropan-2-one.
What is the SMILES notation for 1,1-dichloro-1,3-difluoropropan-2-one?
The canonical SMILES for 1,1-dichloro-1,3-difluoropropan-2-one is O=C(CF)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,3-difluoropropan-2-one?
The InChIKey is ZCBPVHOSWQLECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2F2O/c4-3(5,7)2(8)1-6/h1H2.
What are the key properties of 1,1-dichloro-1,3-difluoropropan-2-one?
1,1-dichloro-1,3-difluoropropan-2-one has a molecular weight of 162.95 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,3-difluoropropan-2-one is sourced from PubChem (CID 139922174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).