1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one

C13H15F2NO — CID 116591321

IUPAC1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-3-2-9(12(15)7-10)6-11(17)8-13(16)4-1-5-13/h2-3,7H,1,4-6,8,16H2
InChIKeyDYKXCEICUORIDS-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one

1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one (PubChem CID 116591321) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
PubChem CID116591321
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2ccc(F)cc2F)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-3-2-9(12(15)7-10)6-11(17)8-13(16)4-1-5-13/h2-3,7H,1,4-6,8,16H2
InChIKeyDYKXCEICUORIDS-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103042612
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
2-(1-aminocyclobutyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116591399
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
2-(1-aminocyclopentyl)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396478
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one (CID 116591321) is 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one is NC1(CC(=O)Cc2ccc(F)cc2F)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one?
The InChIKey is DYKXCEICUORIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-3-2-9(12(15)7-10)6-11(17)8-13(16)4-1-5-13/h2-3,7H,1,4-6,8,16H2.
What are the key properties of 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one?
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one has a molecular weight of 239.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one is sourced from PubChem (CID 116591321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).