7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane

C5H7F2NO — CID 50989414

IUPAC7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2NCCOC21
InChIInChI=1S/C5H7F2NO/c6-5(7)3-4(5)9-2-1-8-3/h3-4,8H,1-2H2
InChIKeySPSDUMGUYKJJBB-UHFFFAOYSA-N
MW135.11 g/mol
LogP-0.01
Rot. Bonds

About 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane

7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 50989414) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID50989414
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESFC1(F)C2NCCOC21
InChIInChI=1S/C5H7F2NO/c6-5(7)3-4(5)9-2-1-8-3/h3-4,8H,1-2H2
InChIKeySPSDUMGUYKJJBB-UHFFFAOYSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane (CID 50989414) is 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane is FC1(F)C2NCCOC21.
What is the InChIKey of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is SPSDUMGUYKJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-5(7)3-4(5)9-2-1-8-3/h3-4,8H,1-2H2.
What are the key properties of 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane?
7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 135.11 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 50989414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).