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

C11H12ClFO2 — CID 79567975

IUPAC1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12ClFO2/c1-7(2)15-6-11(14)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3
InChIKeyINSUQNGXQSZWDM-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.09
Rot. Bonds4

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

1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone (PubChem CID 79567975) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone
PubChem CID79567975
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H12ClFO2/c1-7(2)15-6-11(14)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3
InChIKeyINSUQNGXQSZWDM-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-(2-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-one
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1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
1-(2-chloro-4-fluorophenyl)-3-methylbut-3-en-1-one
CID 79178672
1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51129279
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024568
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
ethyl 5-(2-chloro-4-fluorophenyl)-5-oxopentanoate
CID 24727643
3-butoxy-1-(2-chloro-4-fluorophenyl)propan-1-one
CID 55154689
1-(2-chloro-4-fluorophenyl)hex-4-yn-1-one
CID 104803171
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone (CID 79567975) is 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone?
The InChIKey is INSUQNGXQSZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-7(2)15-6-11(14)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone?
1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone has a molecular weight of 230.67 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 79567975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).