1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone

C12H13FO — CID 114347164

IUPAC1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1CC1
InChIInChI=1S/C12H13FO/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyWYNYAAQAXRKZEW-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone

1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 114347164) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
PubChem CID114347164
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1CC1
InChIInChI=1S/C12H13FO/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyWYNYAAQAXRKZEW-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347257
2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 114347355
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 171948121
2-(4-fluoro-2-methylphenyl)-1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171948128
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
2-(4-fluoro-2-methylphenyl)-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171948131
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
(4-fluoro-2-methylphenyl)methyl cyclobutanecarboxylate
CID 151248116
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 115812569

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone (CID 114347164) is 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is WYNYAAQAXRKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8-6-11(13)5-4-10(8)7-12(14)9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone?
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 192.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 114347164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).