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

C16H14ClFO — CID 114068685

IUPAC1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H14ClFO/c1-9-7-16(17)10(2)6-14(9)15-8-12(18)4-5-13(15)11(3)19/h4-8H,1-3H3
InChIKeyHFIYWTXNNNAZHR-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.97
Rot. Bonds2

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

1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone (PubChem CID 114068685) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
PubChem CID114068685
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1-c1cc(C)c(Cl)cc1C
InChIInChI=1S/C16H14ClFO/c1-9-7-16(17)10(2)6-14(9)15-8-12(18)4-5-13(15)11(3)19/h4-8H,1-3H3
InChIKeyHFIYWTXNNNAZHR-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,3-dimethylphenyl)-4-fluorophenyl]ethanone
CID 114068433
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
1-[4-fluoro-2-(2,4,6-trifluorophenyl)phenyl]ethanone
CID 114068675
1-[2-(2-chloro-4-fluorophenyl)phenyl]ethanone
CID 115504911
1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone
CID 175647045
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]ethanone
CID 121497770
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
2-acetyl-5-fluorobenzoic acid
CID 117279010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone (CID 114068685) is 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)cc1-c1cc(C)c(Cl)cc1C.
What is the InChIKey of 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone?
The InChIKey is HFIYWTXNNNAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-9-7-16(17)10(2)6-14(9)15-8-12(18)4-5-13(15)11(3)19/h4-8H,1-3H3.
What are the key properties of 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone?
1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone has a molecular weight of 276.74 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 114068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).