1-(2-chloro-4-fluorophenyl)propan-1-one

C9H8ClFO — CID 19009630

IUPAC1-(2-chloro-4-fluorophenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-2-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3
InChIKeyGUZFVWQMKORUSO-UHFFFAOYSA-N
MW186.61 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)propan-1-one

1-(2-chloro-4-fluorophenyl)propan-1-one (PubChem CID 19009630) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)propan-1-one
PubChem CID19009630
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(2-chloro-4-fluorophenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFO/c1-2-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3
InChIKeyGUZFVWQMKORUSO-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]propan-1-one
CID 134615598
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(2-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-one
CID 146009446
1-(2-chloro-4-fluorophenyl)-3-methylbut-3-en-1-one
CID 79178672
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(2-chloro-4-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 65098055
1-[2-(2,4-dichlorophenyl)-4-fluorophenyl]propan-1-one
CID 118813125
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone
CID 79567975
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
ethyl 5-(2-chloro-4-fluorophenyl)-5-oxopentanoate
CID 24727643
3-butoxy-1-(2-chloro-4-fluorophenyl)propan-1-one
CID 55154689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-1-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-1-one (CID 19009630) is 1-(2-chloro-4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)propan-1-one is CCC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)propan-1-one?
The InChIKey is GUZFVWQMKORUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-2-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)propan-1-one?
1-(2-chloro-4-fluorophenyl)propan-1-one has a molecular weight of 186.61 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)propan-1-one is sourced from PubChem (CID 19009630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).