1,2-difluoro-3-azabicyclo[3.1.0]hexane

C5H7F2N — CID 129078665

IUPAC1,2-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1NCC2CC21F
InChIInChI=1S/C5H7F2N/c6-4-5(7)1-3(5)2-8-4/h3-4,8H,1-2H2
InChIKeyOCXCEXNCDQLQAE-UHFFFAOYSA-N
MW119.11 g/mol
LogP0.61
Rot. Bonds

About 1,2-difluoro-3-azabicyclo[3.1.0]hexane

1,2-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 129078665) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 1,2-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID129078665
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name1,2-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1NCC2CC21F
InChIInChI=1S/C5H7F2N/c6-4-5(7)1-3(5)2-8-4/h3-4,8H,1-2H2
InChIKeyOCXCEXNCDQLQAE-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 175017643
4-azatricyclo[4.1.0.01,3]heptane
CID 67976418
1-chloro-1,2-difluorocyclopropane
CID 69232639
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
CID 72943153
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
4,4-difluoropyrrolidin-2-ol
CID 142198674
5-fluoro-5-piperidin-4-yl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115028000
dimethylsilane;1,1,2-trifluorocyclopropane
CID 175494643
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
CID 72943152
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,2-difluoro-3-azabicyclo[3.1.0]hexane (CID 129078665) is 1,2-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2-difluoro-3-azabicyclo[3.1.0]hexane is FC1NCC2CC21F.
What is the InChIKey of 1,2-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is OCXCEXNCDQLQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c6-4-5(7)1-3(5)2-8-4/h3-4,8H,1-2H2.
What are the key properties of 1,2-difluoro-3-azabicyclo[3.1.0]hexane?
1,2-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 119.11 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).