6,6-difluoro-3-azabicyclo[3.1.0]hexane

C5H7F2N — CID 45158913

IUPAC6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CNCC21
InChIInChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
InChIKeyGHBUVDSNXSMDMM-UHFFFAOYSA-N
MW119.11 g/mol
LogP0.47
Rot. Bonds

About 6,6-difluoro-3-azabicyclo[3.1.0]hexane

6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 45158913) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID45158913
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CNCC21
InChIInChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2
InChIKeyGHBUVDSNXSMDMM-UHFFFAOYSA-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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Related Compounds

3-Azabicyclo[3.1.0]hexane hydrochloride
CID 22335289
6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
CID 45158912
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 47003509
3-Azabicyclo(3.1.0)hexane
CID 13150523
(1r,5s,6s)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 47003426
(1R,5S,6R)-6-(fluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792566
1-Fluoro-3-azabicyclo(3.1.0)hexane hydrochloride
CID 84716181
(1R,5R)-1-(difluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 137838650
(1R,5S,6R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 146049579
(1S,5S)-1-(difluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 165993798

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 45158913) is 6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-difluoro-3-azabicyclo[3.1.0]hexane is FC1(F)C2CNCC21.
What is the InChIKey of 6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is GHBUVDSNXSMDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c6-5(7)3-1-8-2-4(3)5/h3-4,8H,1-2H2.
What are the key properties of 6,6-difluoro-3-azabicyclo[3.1.0]hexane?
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 6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 45158913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).