1-(4-chloro-3-fluoro-5-methylphenyl)ethanone

C9H8ClFO — CID 118845013

IUPAC1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(Cl)c(F)c1
InChIInChI=1S/C9H8ClFO/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4H,1-2H3
InChIKeyDJGUTFWLJAJJLU-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.99
Rot. Bonds1

About 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone

1-(4-chloro-3-fluoro-5-methylphenyl)ethanone (PubChem CID 118845013) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
PubChem CID118845013
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(Cl)c(F)c1
InChIInChI=1S/C9H8ClFO/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4H,1-2H3
InChIKeyDJGUTFWLJAJJLU-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-3-fluoro-5-methylphenyl)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-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
1-[3-chloro-5-(difluoromethyl)-4-methylphenyl]ethanone
CID 171005721
ethane;1-[4-fluoro-3-(2-fluorophenyl)-5-methylphenyl]ethanone
CID 145105680
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
CID 83383426
1-(3-chloro-5-fluoro-4-nitrophenyl)ethanone
CID 171007567
1-[4-(difluoromethyl)-3-hydroxy-5-methylphenyl]ethanone
CID 131330772
1-(4-chloro-2,3,5-trifluorophenyl)ethanone
CID 117112116
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
1-[3-chloro-5-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 171005890
1-(7-fluoro-2-methyl-3H-benzimidazol-5-yl)ethanone
CID 123388492
4-acetyl-2-chloro-6-methylbenzonitrile
CID 171003683

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone (CID 118845013) is 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone is CC(=O)c1cc(C)c(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone?
The InChIKey is DJGUTFWLJAJJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4H,1-2H3.
What are the key properties of 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone?
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone has a molecular weight of 186.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 118845013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).