1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone

C12H13FO — CID 130987809

IUPAC1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FO/c1-12(6-7-12)8-11(14)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyBGCCPEAPVZJPRD-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone

1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone (PubChem CID 130987809) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
PubChem CID130987809
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
SMILESCC1(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H13FO/c1-12(6-7-12)8-11(14)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
InChIKeyBGCCPEAPVZJPRD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)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-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
1-fluoro-4-[(Z)-4-(1-methylcyclopropyl)-3-(4-methylsulfinylphenyl)but-2-en-2-yl]benzene
CID 143008923
1-(4-fluorophenyl)-2-nitrosoethanone
CID 57125570
(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
1-(4-fluorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102744717
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-[2-(4-fluorophenyl)-2-oxoethyl]-5,5-dimethylazepan-2-one
CID 65284577
4-(2,2-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 55162900
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 105415757
1-(4-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950412
1-(4-fluorophenyl)-2-[3-(4-methylphenyl)sulfonyl-1-bicyclo[1.1.1]pentanyl]ethanone
CID 162398958
1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
CID 122510744

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone (CID 130987809) is 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone is CC1(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone?
The InChIKey is BGCCPEAPVZJPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-12(6-7-12)8-11(14)9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone?
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone has a molecular weight of 192.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone is sourced from PubChem (CID 130987809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).