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

C8H15F2NO — CID 172576957

IUPAC7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane
SMILESCC.CN1CCOC2C1C2(F)F
InChIInChI=1S/C6H9F2NO.C2H6/c1-9-2-3-10-5-4(9)6(5,7)8;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyWKSSMXBBSZIJNV-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds

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

7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane (PubChem CID 172576957) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane.

Molecular Properties

Compound Name7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane
PubChem CID172576957
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane
SMILESCC.CN1CCOC2C1C2(F)F
InChIInChI=1S/C6H9F2NO.C2H6/c1-9-2-3-10-5-4(9)6(5,7)8;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyWKSSMXBBSZIJNV-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane?
The IUPAC name of 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane (CID 172576957) is 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane.
What is the SMILES notation for 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane?
The canonical SMILES for 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane is CC.CN1CCOC2C1C2(F)F.
What is the InChIKey of 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane?
The InChIKey is WKSSMXBBSZIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO.C2H6/c1-9-2-3-10-5-4(9)6(5,7)8;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane?
7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane has a molecular weight of 179.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-methyl-2-oxa-5-azabicyclo[4.1.0]heptane;ethane is sourced from PubChem (CID 172576957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).