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

C9H14F2N2O — CID 168853038

IUPAC1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CCC(F)F)N1
InChIInChI=1S/C9H14F2N2O/c10-7(11)1-2-9-4-5(9)3-6(13-9)8(12)14/h5-7,13H,1-4H2,(H2,12,14)
InChIKeyRNCFGDKBAYDEND-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.64
Rot. Bonds4

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

1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 168853038) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID168853038
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CCC(F)F)N1
InChIInChI=1S/C9H14F2N2O/c10-7(11)1-2-9-4-5(9)3-6(13-9)8(12)14/h5-7,13H,1-4H2,(H2,12,14)
InChIKeyRNCFGDKBAYDEND-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.64
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-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 168853038) is 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CCC(F)F)N1.
What is the InChIKey of 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is RNCFGDKBAYDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-7(11)1-2-9-4-5(9)3-6(13-9)8(12)14/h5-7,13H,1-4H2,(H2,12,14).
What are the key properties of 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 204.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 168853038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).