2,4-difluoro-3-azabicyclo[3.1.0]hexane

C5H7F2N — CID 135369639

IUPAC2,4-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1NC(F)C2CC12
InChIInChI=1S/C5H7F2N/c6-4-2-1-3(2)5(7)8-4/h2-5,8H,1H2
InChIKeyZQFNUXCMQXCQCT-UHFFFAOYSA-N
MW119.11 g/mol
LogP0.82
Rot. Bonds

About 2,4-difluoro-3-azabicyclo[3.1.0]hexane

2,4-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 135369639) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 2,4-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,4-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID135369639
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name2,4-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1NC(F)C2CC12
InChIInChI=1S/C5H7F2N/c6-4-2-1-3(2)5(7)8-4/h2-5,8H,1H2
InChIKeyZQFNUXCMQXCQCT-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2,4-difluoro-3-azabicyclo[3.1.0]hexane (CID 135369639) is 2,4-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2,4-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2,4-difluoro-3-azabicyclo[3.1.0]hexane is FC1NC(F)C2CC12.
What is the InChIKey of 2,4-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZQFNUXCMQXCQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c6-4-2-1-3(2)5(7)8-4/h2-5,8H,1H2.
What are the key properties of 2,4-difluoro-3-azabicyclo[3.1.0]hexane?
2,4-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 119.11 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 135369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).