1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone

C14H9F3O — CID 175647195

IUPAC1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H9F3O/c1-8(18)12-6-9(2-5-13(12)16)11-4-3-10(15)7-14(11)17/h2-7H,1H3
InChIKeyMEYGNRAZYLRWPU-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.97
Rot. Bonds2

About 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone

1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone (PubChem CID 175647195) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
PubChem CID175647195
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(-c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H9F3O/c1-8(18)12-6-9(2-5-13(12)16)11-4-3-10(15)7-14(11)17/h2-7H,1H3
InChIKeyMEYGNRAZYLRWPU-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

5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
1-O-[2-[2-acetyl-4-(2,4-difluorophenyl)phenoxy]carbonyl-4-(2,4-difluorophenyl)phenyl] 3-O-[4-(2,4-difluorophenyl)-2-[4-(2,4-difluorophenyl)-2-methoxycarbonylphenoxy]carbonylphenyl] propanedioate
CID 59168437
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
1-[5-fluoro-2-(2-fluoro-4-methylphenyl)phenyl]ethanone
CID 175647053

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone (CID 175647195) is 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone is CC(=O)c1cc(-c2ccc(F)cc2F)ccc1F.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone?
The InChIKey is MEYGNRAZYLRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c1-8(18)12-6-9(2-5-13(12)16)11-4-3-10(15)7-14(11)17/h2-7H,1H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone?
1-[5-(2,4-difluorophenyl)-2-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-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone is sourced from PubChem (CID 175647195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).