1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one

C13H15F2NO — CID 105412018

IUPAC1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)8-13(16)2-1-3-13/h4-5,7H,1-3,6,8,16H2
InChIKeyCRHBEBCNDXSLEP-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one

1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one (PubChem CID 105412018) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
PubChem CID105412018
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESNC1(CC(=O)Cc2cc(F)cc(F)c2)CCC1
InChIInChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)8-13(16)2-1-3-13/h4-5,7H,1-3,6,8,16H2
InChIKeyCRHBEBCNDXSLEP-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)-3-(2,4-difluorophenyl)propan-2-one
CID 116591321
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103042612
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405282
2-(3,5-difluorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 105412230
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one (CID 105412018) is 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one is NC1(CC(=O)Cc2cc(F)cc(F)c2)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one?
The InChIKey is CRHBEBCNDXSLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-4-9(5-11(15)7-10)6-12(17)8-13(16)2-1-3-13/h4-5,7H,1-3,6,8,16H2.
What are the key properties of 1-(1-aminocyclobutyl)-3-(3,5-difluorophenyl)propan-2-one?
1-(1-aminocyclobutyl)-3-(3,5-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-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 105412018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).