6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride

C6H9ClF3N — CID 71656093

IUPAC6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)C1C2CCNC21
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)4-3-1-2-10-5(3)4;/h3-5,10H,1-2H2;1H
InChIKeyCOMBNBLVOLGGQN-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.58
Rot. Bonds

About 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride

6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 71656093) has the molecular formula C6H9ClF3N and a molecular weight of 187.59 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID71656093
Molecular FormulaC6H9ClF3N
Molecular Weight187.59 g/mol
Exact Mass187.04
IUPAC Name6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)C1C2CCNC21
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)4-3-1-2-10-5(3)4;/h3-5,10H,1-2H2;1H
InChIKeyCOMBNBLVOLGGQN-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
CID 45158912
(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
rac-(2R,4S)-4-methyl-2-(trifluoromethyl)piperidine
CID 52810925
5,5-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 84717355
3-(2,2-Difluorocyclopropyl)pyrrolidine hydrochloride
CID 126845674
6,6-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 127264201
6,6-Difluoro-4-azaspiro(2.4)heptane hydrochloride
CID 155255190
(1r,5s,6s)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 47003426
(1R,5S,6R)-6-(fluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792566
7-(Trifluoromethyl)-2-azabicyclo(4.1.0)heptane hydrochloride
CID 54593825

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride (CID 71656093) is 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC(F)(F)C1C2CCNC21.
What is the InChIKey of 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is COMBNBLVOLGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N.ClH/c7-6(8,9)4-3-1-2-10-5(3)4;/h3-5,10H,1-2H2;1H.
What are the key properties of 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride?
6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 187.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 71656093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).