1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C6H8F3NO — CID 155262801

IUPAC1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)C12CNC(CO1)C2
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-1-4(2-11-5)10-3-5/h4,10H,1-3H2
InChIKeyXBRDQBXEYPZMEY-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.68
Rot. Bonds

About 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 155262801) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID155262801
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)C12CNC(CO1)C2
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-1-4(2-11-5)10-3-5/h4,10H,1-3H2
InChIKeyXBRDQBXEYPZMEY-UHFFFAOYSA-N
XLogP0.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 155262801) is 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is FC(F)(F)C12CNC(CO1)C2.
What is the InChIKey of 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is XBRDQBXEYPZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5-1-4(2-11-5)10-3-5/h4,10H,1-3H2.
What are the key properties of 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 167.13 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 155262801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).