6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

C5H8ClF2N — CID 45158912

IUPAC6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC1(F)C2CNCC21
InChIInChI=1S/C5H7F2N.ClH/c6-5(7)3-1-8-2-4(3)5;/h3-4,8H,1-2H2;1H
InChIKeyBVCCCDHBLPVHFK-UHFFFAOYSA-N
MW155.57 g/mol
LogP0.89
Rot. Bonds

About 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride

6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 45158912) has the molecular formula C5H8ClF2N and a molecular weight of 155.57 g/mol. Its IUPAC name is 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID45158912
Molecular FormulaC5H8ClF2N
Molecular Weight155.57 g/mol
Exact Mass155.03
IUPAC Name6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC1(F)C2CNCC21
InChIInChI=1S/C5H7F2N.ClH/c6-5(7)3-1-8-2-4(3)5;/h3-4,8H,1-2H2;1H
InChIKeyBVCCCDHBLPVHFK-UHFFFAOYSA-N
XLogP0.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.57
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
6,6-Difluoro-3-azabicyclo(3.1.0)hexane
CID 45158913
3-Azabicyclo[3.1.0]hexane hydrochloride
CID 22335289
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
1-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 47003509
3-(2,2,2-Trifluoroethyl)pyrrolidine hydrochloride
CID 50988606
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
3-(Difluoromethyl)piperidine hydrochloride
CID 53346561
2-Azabicyclo[3.1.0]hexane hydrochloride
CID 67358156
3-(Trifluoromethyl)piperidine hydrochloride
CID 68566404
4-(2,2-Difluoroethyl)piperidine hydrochloride
CID 70086459
4-(2,2,2-Trifluoroethyl)piperidine hydrochloride
CID 71755865

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 45158912) is 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC1(F)C2CNCC21.
What is the InChIKey of 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is BVCCCDHBLPVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N.ClH/c6-5(7)3-1-8-2-4(3)5;/h3-4,8H,1-2H2;1H.
What are the key properties of 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride?
6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 155.57 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 45158912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).