(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C5H7F2N — CID 51900833

IUPAC(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2/t3-,4+
InChIKeyGHBUVDSNXSMDMM-ZXZARUISSA-N
MW119.11 g/mol
LogP0.47
Rot. Bonds

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

(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 51900833) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID51900833
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2/t3-,4+
InChIKeyGHBUVDSNXSMDMM-ZXZARUISSA-N
XLogP0.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 51900833) is (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is FC1(F)[C@@H]2CNC[C@@H]21.
What is the InChIKey of (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is GHBUVDSNXSMDMM-ZXZARUISSA-N. The full InChI is InChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2/t3-,4+.
What are the key properties of (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 119.11 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 51900833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).