1-(4-chlorophenyl)-2,2-difluoroethanone

C8H5ClF2O — CID 11424072

IUPAC1-(4-chlorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C8H5ClF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChIKeyUVQWPRFEOFCDLY-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-chlorophenyl)-2,2-difluoroethanone

1-(4-chlorophenyl)-2,2-difluoroethanone (PubChem CID 11424072) has the molecular formula C8H5ClF2O and a molecular weight of 190.58 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluoroethanone
PubChem CID11424072
Molecular FormulaC8H5ClF2O
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name1-(4-chlorophenyl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C8H5ClF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChIKeyUVQWPRFEOFCDLY-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluoroethanone?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluoroethanone (CID 11424072) is 1-(4-chlorophenyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluoroethanone is O=C(c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluoroethanone?
The InChIKey is UVQWPRFEOFCDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluoroethanone?
1-(4-chlorophenyl)-2,2-difluoroethanone has a molecular weight of 190.58 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluoroethanone is sourced from PubChem (CID 11424072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).