1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one

C13H15ClFNO — CID 103042612

IUPAC1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C13H15ClFNO/c14-11-7-9(2-3-12(11)15)6-10(17)8-13(16)4-1-5-13/h2-3,7H,1,4-6,8,16H2
InChIKeyFTTQNSKNHWDJRO-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.86
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one

1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one (PubChem CID 103042612) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
PubChem CID103042612
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C13H15ClFNO/c14-11-7-9(2-3-12(11)15)6-10(17)8-13(16)4-1-5-13/h2-3,7H,1,4-6,8,16H2
InChIKeyFTTQNSKNHWDJRO-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105412018
1-(1-aminocyclobutyl)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutan-2-one
CID 103039327
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496
4-[(3-chloro-4-fluorophenyl)methyl]oxepan-4-amine
CID 103039274
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one (CID 103042612) is 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one is NC1(CC(=O)Cc2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one?
The InChIKey is FTTQNSKNHWDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-11-7-9(2-3-12(11)15)6-10(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-(3-chloro-4-fluorophenyl)propan-2-one?
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one has a molecular weight of 255.72 g/mol, XLogP of 2.86, 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-(3-chloro-4-fluorophenyl)propan-2-one is sourced from PubChem (CID 103042612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).