(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

C9H14F2N2 — CID 126591137

IUPAC(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CN(CC2[C@H]3CNC[C@@H]23)C1
InChIInChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2/t6-,7+,8?
InChIKeyABBVZUMZIRGSEZ-DHBOJHSNSA-N
MW188.22 g/mol
LogP0.40
Rot. Bonds2

About (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 126591137) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID126591137
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CN(CC2[C@H]3CNC[C@@H]23)C1
InChIInChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2/t6-,7+,8?
InChIKeyABBVZUMZIRGSEZ-DHBOJHSNSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 126591137) is (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is FC1(F)CN(CC2[C@H]3CNC[C@@H]23)C1.
What is the InChIKey of (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ABBVZUMZIRGSEZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2/t6-,7+,8?.
What are the key properties of (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
(1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 188.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126591137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).