2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone

C14H9Cl2FO — CID 146006688

IUPAC2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)c(F)c1)C(Cl)Cl
InChIInChI=1S/C14H9Cl2FO/c15-14(16)13(18)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h1-8,14H
InChIKeyQXMQHYJZALSZBP-UHFFFAOYSA-N
MW283.13 g/mol
LogP4.48
Rot. Bonds3

About 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone

2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone (PubChem CID 146006688) has the molecular formula C14H9Cl2FO and a molecular weight of 283.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone
PubChem CID146006688
Molecular FormulaC14H9Cl2FO
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)c(F)c1)C(Cl)Cl
InChIInChI=1S/C14H9Cl2FO/c15-14(16)13(18)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h1-8,14H
InChIKeyQXMQHYJZALSZBP-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-one
CID 146006704
2,2,2-trichloro-1-(3-fluoro-4-phenylphenyl)ethanone
CID 146006687
2-chloro-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 163851798
cyclopentyl-(3-fluoro-4-phenylphenyl)methanone
CID 146006711
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
4-hydroxybutyl 3-fluoro-4-phenylbenzoate
CID 91376358
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
5-chloro-2-(3-fluoro-4-phenylphenyl)hexan-3-one
CID 143928439
1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
CID 146006710
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
(4-phenylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 146008045

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone?
The IUPAC name of 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone (CID 146006688) is 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone.
What is the SMILES notation for 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone?
The canonical SMILES for 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone is O=C(c1ccc(-c2ccccc2)c(F)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone?
The InChIKey is QXMQHYJZALSZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO/c15-14(16)13(18)10-6-7-11(12(17)8-10)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone?
2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone has a molecular weight of 283.13 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(3-fluoro-4-phenylphenyl)ethanone is sourced from PubChem (CID 146006688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).