(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride

C7H11ClF3NO — CID 155820701

IUPAC(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
SMILESCl.O[C@]1(C(F)(F)F)C[C@@H]2NCC[C@@H]21
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-5-4(6)1-2-11-5;/h4-5,11-12H,1-3H2;1H/t4-,5-,6+;/m0./s1
InChIKeyAMGAIHWVIRPLHB-WLUDYRNVSA-N
MW217.62 g/mol
LogP1.08
Rot. Bonds

About (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride

(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride (PubChem CID 155820701) has the molecular formula C7H11ClF3NO and a molecular weight of 217.62 g/mol. Its IUPAC name is (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride.

Molecular Properties

Compound Name(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
PubChem CID155820701
Molecular FormulaC7H11ClF3NO
Molecular Weight217.62 g/mol
Exact Mass217.05
IUPAC Name(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride
SMILESCl.O[C@]1(C(F)(F)F)C[C@@H]2NCC[C@@H]21
InChIInChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-5-4(6)1-2-11-5;/h4-5,11-12H,1-3H2;1H/t4-,5-,6+;/m0./s1
InChIKeyAMGAIHWVIRPLHB-WLUDYRNVSA-N
XLogP1.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.62
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The IUPAC name of (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride (CID 155820701) is (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride.
What is the SMILES notation for (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The canonical SMILES for (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride is Cl.O[C@]1(C(F)(F)F)C[C@@H]2NCC[C@@H]21.
What is the InChIKey of (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
The InChIKey is AMGAIHWVIRPLHB-WLUDYRNVSA-N. The full InChI is InChI=1S/C7H10F3NO.ClH/c8-7(9,10)6(12)3-5-4(6)1-2-11-5;/h4-5,11-12H,1-3H2;1H/t4-,5-,6+;/m0./s1.
What are the key properties of (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride?
(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride has a molecular weight of 217.62 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol;hydrochloride is sourced from PubChem (CID 155820701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).