2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone

C14H9ClF2O — CID 167455502

IUPAC2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C14H9ClF2O/c15-12-8-4-7-11(9-12)14(16,17)13(18)10-5-2-1-3-6-10/h1-9H
InChIKeyVSGOWMJQJGWNMY-UHFFFAOYSA-N
MW266.67 g/mol
LogP4.31
Rot. Bonds3

About 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone

2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone (PubChem CID 167455502) has the molecular formula C14H9ClF2O and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
PubChem CID167455502
Molecular FormulaC14H9ClF2O
Molecular Weight266.67 g/mol
Exact Mass266.03
IUPAC Name2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C14H9ClF2O/c15-12-8-4-7-11(9-12)14(16,17)13(18)10-5-2-1-3-6-10/h1-9H
InChIKeyVSGOWMJQJGWNMY-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-2,2-difluoroacetic acid;2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
CID 118541740
benzoic acid;3-chlorobenzoic acid
CID 162034638
2-chloro-1,2,2-triphenylethanone
CID 11301235
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
methyl 2-(3-chlorophenyl)-2-fluoro-2-phenylacetate
CID 165389116
2-(3-chlorophenyl)-2-cyano-2-fluoroacetic acid
CID 146447979
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-[4-(difluoromethyl)phenyl]-2,2-difluoro-1-phenylethanone
CID 126699875
1-chloro-3-tritylbenzene
CID 14737306
CID 68547080
CID 68547080
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone?
The IUPAC name of 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone (CID 167455502) is 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone is O=C(c1ccccc1)C(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone?
The InChIKey is VSGOWMJQJGWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O/c15-12-8-4-7-11(9-12)14(16,17)13(18)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone?
2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone has a molecular weight of 266.67 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone is sourced from PubChem (CID 167455502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).