6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride

C12H13ClF3N — CID 155895975

IUPAC6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2C3CNCC32)cc1
InChIInChI=1S/C12H12F3N.ClH/c13-12(14,15)8-3-1-7(2-4-8)11-9-5-16-6-10(9)11;/h1-4,9-11,16H,5-6H2;1H
InChIKeyJMKRWIJPTFRLRU-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.06
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride

6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 155895975) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID155895975
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2C3CNCC32)cc1
InChIInChI=1S/C12H12F3N.ClH/c13-12(14,15)8-3-1-7(2-4-8)11-9-5-16-6-10(9)11;/h1-4,9-11,16H,5-6H2;1H
InChIKeyJMKRWIJPTFRLRU-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102423314
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 155895975) is 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC(F)(F)c1ccc(C2C3CNCC32)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is JMKRWIJPTFRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N.ClH/c13-12(14,15)8-3-1-7(2-4-8)11-9-5-16-6-10(9)11;/h1-4,9-11,16H,5-6H2;1H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride?
6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 263.69 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 155895975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).