1-cyclobutyl-2-(3-fluorophenyl)ethanone

C12H13FO — CID 61078433

IUPAC1-cyclobutyl-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCC1
InChIInChI=1S/C12H13FO/c13-11-6-1-3-9(7-11)8-12(14)10-4-2-5-10/h1,3,6-7,10H,2,4-5,8H2
InChIKeyILOVWYTXXQEMBO-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.74
Rot. Bonds3

About 1-cyclobutyl-2-(3-fluorophenyl)ethanone

1-cyclobutyl-2-(3-fluorophenyl)ethanone (PubChem CID 61078433) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-fluorophenyl)ethanone
PubChem CID61078433
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-cyclobutyl-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCC1
InChIInChI=1S/C12H13FO/c13-11-6-1-3-9(7-11)8-12(14)10-4-2-5-10/h1,3,6-7,10H,2,4-5,8H2
InChIKeyILOVWYTXXQEMBO-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944859
1-cyclopentyl-2-(3-iodophenyl)ethanone
CID 158596925
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
CID 71582377
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(3-fluorophenyl)ethanone (CID 61078433) is 1-cyclobutyl-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(3-fluorophenyl)ethanone?
The InChIKey is ILOVWYTXXQEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-6-1-3-9(7-11)8-12(14)10-4-2-5-10/h1,3,6-7,10H,2,4-5,8H2.
What are the key properties of 1-cyclobutyl-2-(3-fluorophenyl)ethanone?
1-cyclobutyl-2-(3-fluorophenyl)ethanone has a molecular weight of 192.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 61078433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).