2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone

C12H13F2NO — CID 116591215

IUPAC2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
SMILESNC1(CC(=O)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C12H13F2NO/c13-8-2-3-9(10(14)6-8)11(16)7-12(15)4-1-5-12/h2-3,6H,1,4-5,7,15H2
InChIKeyWVKIQQJOXHLXPM-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.42
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone

2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 116591215) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
PubChem CID116591215
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
SMILESNC1(CC(=O)c2ccc(F)cc2F)CCC1
InChIInChI=1S/C12H13F2NO/c13-8-2-3-9(10(14)6-8)11(16)7-12(15)4-1-5-12/h2-3,6H,1,4-5,7,15H2
InChIKeyWVKIQQJOXHLXPM-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447921
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 79853913

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone (CID 116591215) is 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone is NC1(CC(=O)c2ccc(F)cc2F)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is WVKIQQJOXHLXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-8-2-3-9(10(14)6-8)11(16)7-12(15)4-1-5-12/h2-3,6H,1,4-5,7,15H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone?
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 225.24 g/mol, XLogP of 2.42, 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-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 116591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).