1-(1-amino-3,3-difluorocyclobutyl)propan-1-one

C7H11F2NO — CID 134586592

IUPAC1-(1-amino-3,3-difluorocyclobutyl)propan-1-one
SMILESCCC(=O)C1(N)CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3
InChIKeyKFFHLPFUTSOKLR-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one

1-(1-amino-3,3-difluorocyclobutyl)propan-1-one (PubChem CID 134586592) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one.

Molecular Properties

Compound Name1-(1-amino-3,3-difluorocyclobutyl)propan-1-one
PubChem CID134586592
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(1-amino-3,3-difluorocyclobutyl)propan-1-one
SMILESCCC(=O)C1(N)CC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3
InChIKeyKFFHLPFUTSOKLR-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-6,6,6-trifluoro-2-methylhexan-3-one
CID 54064600
1-[(1R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
CID 57740232
1-[(1R,2R)-1-amino-2-(difluoromethyl)cyclopropyl]ethanone
CID 89174595
1-[(1R,2S)-1-amino-2-(2,2-difluoroethyl)cyclopropyl]ethanone
CID 118457480
(3,3-Difluoro-1-propanoylcyclobutyl)azanium;chloride
CID 134586591
(3,3-Difluoro-1-propanoylcyclobutyl)azanium
CID 140877012
1-(1-Amino-3,3-difluorocyclobutyl)ethanone
CID 170373656
1-(1-Amino-3,3-difluorocyclobutyl)propan-1-one;hydrochloride
CID 171923930
1-(1-Amino-3,3-difluorocyclobutyl)propan-2-one;hydrochloride
CID 175327834
2-Amino-1,1,1-trifluoro-2,4-dimethylheptan-3-one
CID 107890226
6-Amino-1,1,1-trifluoro-6-methylnonan-5-one
CID 116557100
5-Amino-1,1,1-trifluoro-5-methyloctan-4-one
CID 116557158

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one?
The IUPAC name of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one (CID 134586592) is 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one.
What is the SMILES notation for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one?
The canonical SMILES for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one is CCC(=O)C1(N)CC(F)(F)C1.
What is the InChIKey of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one?
The InChIKey is KFFHLPFUTSOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-5(11)6(10)3-7(8,9)4-6/h2-4,10H2,1H3.
What are the key properties of 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one?
1-(1-amino-3,3-difluorocyclobutyl)propan-1-one has a molecular weight of 163.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3,3-difluorocyclobutyl)propan-1-one is sourced from PubChem (CID 134586592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).