1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride

C6H9ClF3NO — CID 155978197

IUPAC1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
SMILESCl.NC12COC(C(F)(F)F)(C1)C2
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)5-1-4(10,2-5)3-11-5;/h1-3,10H2;1H
InChIKeyIBUWLIUWVOKJPG-UHFFFAOYSA-N
MW203.59 g/mol
LogP1.23
Rot. Bonds

About 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride

1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride (PubChem CID 155978197) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
PubChem CID155978197
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
SMILESCl.NC12COC(C(F)(F)F)(C1)C2
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)5-1-4(10,2-5)3-11-5;/h1-3,10H2;1H
InChIKeyIBUWLIUWVOKJPG-UHFFFAOYSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride (CID 155978197) is 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride is Cl.NC12COC(C(F)(F)F)(C1)C2.
What is the InChIKey of 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
The InChIKey is IBUWLIUWVOKJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.ClH/c7-6(8,9)5-1-4(10,2-5)3-11-5;/h1-3,10H2;1H.
What are the key properties of 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride is sourced from PubChem (CID 155978197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).