1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one

C11H17F2NO — CID 126487607

IUPAC1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N)C1CC2C(C1)C2(F)F
InChIInChI=1S/C11H17F2NO/c1-5(2)10(15)9(14)6-3-7-8(4-6)11(7,12)13/h5-9H,3-4,14H2,1-2H3
InChIKeyBXFLLNMWCBBAJY-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.83
Rot. Bonds3

About 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one

1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one (PubChem CID 126487607) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one
PubChem CID126487607
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)C(N)C1CC2C(C1)C2(F)F
InChIInChI=1S/C11H17F2NO/c1-5(2)10(15)9(14)6-3-7-8(4-6)11(7,12)13/h5-9H,3-4,14H2,1-2H3
InChIKeyBXFLLNMWCBBAJY-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 21660229
(2S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-dione
CID 53828519
(1S)-1-amino-1-(4,4-difluorocyclohexyl)propan-2-one
CID 59115482
1-Amino-3,3-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
CID 121368343
1-Amino-1-[2-(trifluoromethyl)cyclohexyl]propan-2-one
CID 121371206
(4R)-4-amino-4-(4,4-difluorocyclohexyl)butan-2-one
CID 121426448
1-Amino-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butan-2-one
CID 138525042
2-Amino-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
CID 142227834
2-Amino-1-(1,2,2-trifluorospiro[2.5]octan-6-yl)pentan-3-one;ethane
CID 142227863
1,4-Diamino-5-cyclohexyl-2,2-difluoropentan-3-one
CID 142625149
(2S)-2-amino-1-cyclohexyl-4,4,5,5,6,6,6-heptafluorohexan-3-one
CID 150103018
3-Amino-4-(3,3-difluorocyclohexyl)butan-2-one
CID 167126220

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one?
The IUPAC name of 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one (CID 126487607) is 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one?
The canonical SMILES for 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one is CC(C)C(=O)C(N)C1CC2C(C1)C2(F)F.
What is the InChIKey of 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one?
The InChIKey is BXFLLNMWCBBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-5(2)10(15)9(14)6-3-7-8(4-6)11(7,12)13/h5-9H,3-4,14H2,1-2H3.
What are the key properties of 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one?
1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one has a molecular weight of 217.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-3-methylbutan-2-one is sourced from PubChem (CID 126487607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).