1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H15F2N3O — CID 162459706

IUPAC1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CN2CC(F)(F)C2)N1
InChIInChI=1S/C10H15F2N3O/c11-10(12)4-15(5-10)3-9-2-6(9)1-7(14-9)8(13)16/h6-7,14H,1-5H2,(H2,13,16)
InChIKeyBGGANOYWKIMJKZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.46
Rot. Bonds3

About 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459706) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459706
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CN2CC(F)(F)C2)N1
InChIInChI=1S/C10H15F2N3O/c11-10(12)4-15(5-10)3-9-2-6(9)1-7(14-9)8(13)16/h6-7,14H,1-5H2,(H2,13,16)
InChIKeyBGGANOYWKIMJKZ-UHFFFAOYSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459706) is 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CN2CC(F)(F)C2)N1.
What is the InChIKey of 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is BGGANOYWKIMJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)4-15(5-10)3-9-2-6(9)1-7(14-9)8(13)16/h6-7,14H,1-5H2,(H2,13,16).
What are the key properties of 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).