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

C6H10ClF2N — CID 71656098

IUPAC7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)C2CCNCC21
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)4-1-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H
InChIKeyCUYZXBBHHFLWRX-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.28
Rot. Bonds

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

7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 71656098) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID71656098
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC1(F)C2CCNCC21
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)4-1-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H
InChIKeyCUYZXBBHHFLWRX-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7,7-difluoro-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

Related Compounds

3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
8,8-Difluoro-3-azabicyclo(3.2.1)octane hydrochloride
CID 91663918
1,1-Difluoro-5-azaspiro[2.5]octane hydrochloride
CID 91800869
4,4-Difluoro-5-methylazepane hydrochloride
CID 118798550
7,7-Difluoro-6-methyl-3-azabicyclo[4.1.0]heptane hydrochloride
CID 119031881
3-(2,2-Difluoroethyl)piperidine hydrochloride
CID 137965699
3-Azabicyclo[4.1.0]heptane
CID 20521861
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
Hexahydro-4-(trifluoromethyl)-1H-azepine
CID 55296065
4-(2,2-Difluorocyclopropyl)piperidine
CID 121207618
7-(Trifluoromethyl)-2-azabicyclo(4.1.0)heptane hydrochloride
CID 54593825
3-(2,2,2-Trifluoroethyl)piperidine hydrochloride
CID 71757580

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 71656098) is 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC1(F)C2CCNCC21.
What is the InChIKey of 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is CUYZXBBHHFLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)4-1-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H.
What are the key properties of 7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride?
7,7-difluoro-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 71656098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).