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

C7H11FN2O — CID 162459717

IUPAC1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CF)N1
InChIInChI=1S/C7H11FN2O/c8-3-7-2-4(7)1-5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyDPUSKXWAOMXODR-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.44
Rot. Bonds2

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

1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459717) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459717
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CF)N1
InChIInChI=1S/C7H11FN2O/c8-3-7-2-4(7)1-5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11)
InChIKeyDPUSKXWAOMXODR-UHFFFAOYSA-N
XLogP-0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.44
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
1-Fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123996987
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
1-[(3-Fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459705
1-[(3,3-Difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459706
1-(2,2-Difluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459711
1-(2-Fluoroethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459729
1-(3,3-Difluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853038
5-(Fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168853041

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459717) is 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CF)N1.
What is the InChIKey of 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DPUSKXWAOMXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-3-7-2-4(7)1-5(10-7)6(9)11/h4-5,10H,1-3H2,(H2,9,11).
What are the key properties of 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 158.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).