2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone

C14H10ClFO — CID 83988612

IUPAC2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone
SMILESO=C(CCl)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C14H10ClFO/c15-9-14(17)12-8-11(6-7-13(12)16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVWRLNXVEKDNKLY-UHFFFAOYSA-N
MW248.68 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone

2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone (PubChem CID 83988612) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone
PubChem CID83988612
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone
SMILESO=C(CCl)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C14H10ClFO/c15-9-14(17)12-8-11(6-7-13(12)16)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVWRLNXVEKDNKLY-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 53.91
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

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CID 46314800
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-fluoro-5-(4-fluorophenyl)benzoyl chloride
CID 46312387
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-fluoro-5-pyridin-3-ylbenzoyl chloride
CID 46315592
2-fluoro-5-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423882
2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylbenzamide
CID 110429071
5-(4-cyanophenyl)-2-fluorobenzoic acid
CID 53225083
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110625209
1-(2-bromo-5-phenylphenyl)butan-1-one
CID 83988643
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone (CID 83988612) is 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone is O=C(CCl)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone?
The InChIKey is VWRLNXVEKDNKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-9-14(17)12-8-11(6-7-13(12)16)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone?
2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone has a molecular weight of 248.68 g/mol, XLogP of 3.91, 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-fluoro-5-phenylphenyl)ethanone is sourced from PubChem (CID 83988612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).