1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone

C14H9F3O — CID 22482372

IUPAC1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9F3O/c1-8(18)11-4-2-9(15)6-13(11)12-5-3-10(16)7-14(12)17/h2-7H,1H3
InChIKeyLJNBUOQADDFHDO-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.97
Rot. Bonds2

About 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone

1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone (PubChem CID 22482372) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
PubChem CID22482372
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9F3O/c1-8(18)11-4-2-9(15)6-13(11)12-5-3-10(16)7-14(12)17/h2-7H,1H3
InChIKeyLJNBUOQADDFHDO-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
CID 114068675
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
1-[5-fluoro-2-(2-fluoro-4-methylphenyl)phenyl]ethanone
CID 175647053
(2,4-difluorophenyl)boronic acid;1-[2-(2,4-difluorophenyl)phenyl]ethanone
CID 68815126
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433
1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068685
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
2-acetyl-5-fluorobenzoic acid
CID 117279010
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone (CID 22482372) is 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1-c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone?
The InChIKey is LJNBUOQADDFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c1-8(18)11-4-2-9(15)6-13(11)12-5-3-10(16)7-14(12)17/h2-7H,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone?
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone has a molecular weight of 250.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 22482372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).