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'}

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Related Compounds

1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
1,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptan-2-one
CID 175056304
2-(18F)fluoroacetyl chloride
CID 24764366
3-acetyl-3-chloro-1,5-difluoropentane-2,4-dione;4,4,4-trifluoro-2-methyl-3-oxobutanoic acid
CID 87950263
1-fluoropropan-2-one;methane;tetrafluoromethane
CID 159658714
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838
1-chloro-1,1,5,5,5-pentafluoropentan-2-one
CID 112574854
1,1,3-trifluoro-1-phenylpropan-2-one
CID 175143665
acetic acid;chloro(trifluoro)methane
CID 88651424
CID 87918969
CID 87918969
propyl 2,2,4-trifluoro-3-oxobutanoate
CID 87974740

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).