1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C8H12F2N2O — CID 162459711

IUPAC1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CC(F)F)N1
InChIInChI=1S/C8H12F2N2O/c9-6(10)3-8-2-4(8)1-5(12-8)7(11)13/h4-6,12H,1-3H2,(H2,11,13)
InChIKeyJPXHVPDQILQRSF-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.25
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459711) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459711
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CC(F)F)N1
InChIInChI=1S/C8H12F2N2O/c9-6(10)3-8-2-4(8)1-5(12-8)7(11)13/h4-6,12H,1-3H2,(H2,11,13)
InChIKeyJPXHVPDQILQRSF-UHFFFAOYSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxamide
CID 11506821
2-Azabicyclo(3.1.0)hexane-3-carboxamide, (1S,3S,5S)-
CID 21094662
4,5-Methano-l-proline amide
CID 21338924
(1R,3R,5R)-2-Azabicyclo[3.1.0]hexane-3-carboxamide 2,2,2-trifluoroacetate
CID 68772578
(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90019969
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020449
1-[7-[(2S,5R)-5-ethylpyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 123652283
1-Fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123996987
(1R,3S,5R)-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2,2-difluoro-cyclohexyl)-amide hydrochloride
CID 131742546
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid ((1R,3S)-3-trifluoromethyl-cyclohexyl)-amide hydrochloride
CID 131742548
1-(3-Fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459682
1-[(4,4-Difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459704

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459711) is 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CC(F)F)N1.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JPXHVPDQILQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c9-6(10)3-8-2-4(8)1-5(12-8)7(11)13/h4-6,12H,1-3H2,(H2,11,13).
What are the key properties of 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 190.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).