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

C13H16FNO — CID 116591399

IUPAC2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H16FNO/c1-9-7-10(14)3-4-11(9)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyOJFWXBFWSWUFOP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.59
Rot. Bonds3

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

2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 116591399) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID116591399
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCc1cc(F)ccc1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H16FNO/c1-9-7-10(14)3-4-11(9)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyOJFWXBFWSWUFOP-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
2-(1-aminocyclohexyl)-1-(2,4-dimethylphenyl)ethanone
CID 116578896
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
2-(1-aminocyclopentyl)-1-(2-methylphenyl)ethanone
CID 116578815
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclopentyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 116578661
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
(1-ethylcyclopentyl)-(4-fluoro-2-methylphenyl)methanone
CID 114970764
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone (CID 116591399) is 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone is Cc1cc(F)ccc1C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is OJFWXBFWSWUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-7-10(14)3-4-11(9)12(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone?
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 116591399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).