7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride

C7H12ClF2N — CID 119031881

IUPAC7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC12CCNCC1C2(F)F.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-6-2-3-10-4-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H
InChIKeyNFVDXSNBAWDLRI-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.67
Rot. Bonds

About 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride

7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 119031881) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID119031881
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC12CCNCC1C2(F)F.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-6-2-3-10-4-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H
InChIKeyNFVDXSNBAWDLRI-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride 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-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 119031881) is 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride is CC12CCNCC1C2(F)F.Cl.
What is the InChIKey of 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is NFVDXSNBAWDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c1-6-2-3-10-4-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H.
What are the key properties of 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 119031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).