1-[4-(2-fluorocyclobutyl)phenyl]ethanone

C12H13FO — CID 115019007

IUPAC1-[4-(2-fluorocyclobutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCC2F)cc1
InChIInChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)11-6-7-12(11)13/h2-5,11-12H,6-7H2,1H3
InChIKeyFDDSVOGUMMGPIM-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.10
Rot. Bonds2

About 1-[4-(2-fluorocyclobutyl)phenyl]ethanone

1-[4-(2-fluorocyclobutyl)phenyl]ethanone (PubChem CID 115019007) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[4-(2-fluorocyclobutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorocyclobutyl)phenyl]ethanone
PubChem CID115019007
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-[4-(2-fluorocyclobutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCC2F)cc1
InChIInChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)11-6-7-12(11)13/h2-5,11-12H,6-7H2,1H3
InChIKeyFDDSVOGUMMGPIM-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
CID 115019013
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
CID 177300842
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
4-(2-fluorocyclohexyl)phenol
CID 83855788
1-[4-(thian-3-yl)phenyl]ethanone
CID 105476773
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
CID 90341897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorocyclobutyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-fluorocyclobutyl)phenyl]ethanone (CID 115019007) is 1-[4-(2-fluorocyclobutyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorocyclobutyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-fluorocyclobutyl)phenyl]ethanone is CC(=O)c1ccc(C2CCC2F)cc1.
What is the InChIKey of 1-[4-(2-fluorocyclobutyl)phenyl]ethanone?
The InChIKey is FDDSVOGUMMGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)11-6-7-12(11)13/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 1-[4-(2-fluorocyclobutyl)phenyl]ethanone?
1-[4-(2-fluorocyclobutyl)phenyl]ethanone has a molecular weight of 192.23 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorocyclobutyl)phenyl]ethanone is sourced from PubChem (CID 115019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).