2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone

C14H9ClF2O — CID 81235854

IUPAC2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
SMILESO=C(c1c(F)cccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C14H9ClF2O/c15-13(9-5-2-1-3-6-9)14(18)12-10(16)7-4-8-11(12)17/h1-8,13H
InChIKeyAWZUSJXWEYBOMD-UHFFFAOYSA-N
MW266.67 g/mol
LogP4.13
Rot. Bonds3

About 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone

2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone (PubChem CID 81235854) has the molecular formula C14H9ClF2O and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
PubChem CID81235854
Molecular FormulaC14H9ClF2O
Molecular Weight266.67 g/mol
Exact Mass266.03
IUPAC Name2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
SMILESO=C(c1c(F)cccc1F)C(Cl)c1ccccc1
InChIInChI=1S/C14H9ClF2O/c15-13(9-5-2-1-3-6-9)14(18)12-10(16)7-4-8-11(12)17/h1-8,13H
InChIKeyAWZUSJXWEYBOMD-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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-(2,6-difluorophenyl)-2-phenylbutan-1-one
CID 114972889
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
2-amino-1-(2,6-difluorophenyl)-3-phenylpropan-1-one
CID 116552464
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
CID 146010108
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
potassium 2-chloro-2-phenylacetate
CID 23694408
1-chloro-1-phenylpropan-2-one;ethane
CID 143290485
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone (CID 81235854) is 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone is O=C(c1c(F)cccc1F)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone?
The InChIKey is AWZUSJXWEYBOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O/c15-13(9-5-2-1-3-6-9)14(18)12-10(16)7-4-8-11(12)17/h1-8,13H.
What are the key properties of 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone?
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone has a molecular weight of 266.67 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone is sourced from PubChem (CID 81235854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).