7,7-difluoro-3-azabicyclo[4.1.0]heptane

C6H9F2N — CID 50989413

IUPAC7,7-difluoro-3-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2CCNCC21
InChIInChI=1S/C6H9F2N/c7-6(8)4-1-2-9-3-5(4)6/h4-5,9H,1-3H2
InChIKeyWNYYRDKLJMIYSK-UHFFFAOYSA-N
MW133.14 g/mol
LogP0.86
Rot. Bonds

About 7,7-difluoro-3-azabicyclo[4.1.0]heptane

7,7-difluoro-3-azabicyclo[4.1.0]heptane (PubChem CID 50989413) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 7,7-difluoro-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-difluoro-3-azabicyclo[4.1.0]heptane
PubChem CID50989413
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name7,7-difluoro-3-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2CCNCC21
InChIInChI=1S/C6H9F2N/c7-6(8)4-1-2-9-3-5(4)6/h4-5,9H,1-3H2
InChIKeyWNYYRDKLJMIYSK-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane (CID 50989413) is 7,7-difluoro-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-difluoro-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-difluoro-3-azabicyclo[4.1.0]heptane is FC1(F)C2CCNCC21.
What is the InChIKey of 7,7-difluoro-3-azabicyclo[4.1.0]heptane?
The InChIKey is WNYYRDKLJMIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)4-1-2-9-3-5(4)6/h4-5,9H,1-3H2.
What are the key properties of 7,7-difluoro-3-azabicyclo[4.1.0]heptane?
7,7-difluoro-3-azabicyclo[4.1.0]heptane has a molecular weight of 133.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 50989413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).