7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

C6H9ClF3NO — CID 47003533

IUPAC7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC(F)(F)C1C2NCCOC21
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)3-4-5(3)11-2-1-10-4;/h3-5,10H,1-2H2;1H
InChIKeyFTCWVXUMTCPZHY-UHFFFAOYSA-N
MW203.59 g/mol
LogP0.96
Rot. Bonds

About 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride

7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 47003533) has the molecular formula C6H9ClF3NO and a molecular weight of 203.59 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID47003533
Molecular FormulaC6H9ClF3NO
Molecular Weight203.59 g/mol
Exact Mass203.03
IUPAC Name7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCl.FC(F)(F)C1C2NCCOC21
InChIInChI=1S/C6H8F3NO.ClH/c7-6(8,9)3-4-5(3)11-2-1-10-4;/h3-5,10H,1-2H2;1H
InChIKeyFTCWVXUMTCPZHY-UHFFFAOYSA-N
XLogP0.96
TPSA21.26 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxa-5-azabicyclo[4.1.0]heptane hydrochloride
CID 54595647
7,7-Difluoro-2-oxa-5-azabicyclo[4.1.0]heptane hydrochloride
CID 155895305
7-Fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 176338251
(1R,7R)-7-fluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 176776761
7-(Trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 47003534
(1R,6S,7S)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 50989352
7,7-Difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 50989414
rac-(1R,6S,7R)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52271458
(1R,6S)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52421092
(1S,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane
CID 52421093
(1S,6S,7R)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 98108186
(1S,6S,7S)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 98108187

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride (CID 47003533) is 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is Cl.FC(F)(F)C1C2NCCOC21.
What is the InChIKey of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is FTCWVXUMTCPZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.ClH/c7-6(8,9)3-4-5(3)11-2-1-10-4;/h3-5,10H,1-2H2;1H.
What are the key properties of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride?
7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 47003533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).