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

C6H8F3NO — CID 130061644

IUPAC3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)C1OC2CNC1C2
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-4-1-3(11-5)2-10-4/h3-5,10H,1-2H2
InChIKeyLXNCGDHRXNFXPZ-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.68
Rot. Bonds

About 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane

3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 130061644) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID130061644
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)C1OC2CNC1C2
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-4-1-3(11-5)2-10-4/h3-5,10H,1-2H2
InChIKeyLXNCGDHRXNFXPZ-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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Related Compounds

(1S,4S)-2-oxa-5-azabicyclo(2.2.1)heptane hydrochloride
CID 21303398
(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane hydrobromide
CID 11159293
2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 21914364
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 42554306
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride
CID 66582511
1-(Trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 155262801
2-Oxa-5-azabicyclo(2.2.1)heptane
CID 3614551
2-Oxa-5-azabicyclo[2.2.1]heptane 2,2,2-trifluoroacetate
CID 22507759
(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane trifluoroacetate
CID 66589025
(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane 2,2,2-trifluoroacetate
CID 68824959
7-Fluoro-2-oxa-5-azabicyclo[2.2.1]heptane
CID 117688566
6,6-Difluoro-3-oxa-8-azabicyclo[3.2.1]octane
CID 117698181

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 130061644) is 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is FC(F)(F)C1OC2CNC1C2.
What is the InChIKey of 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is LXNCGDHRXNFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5-4-1-3(11-5)2-10-4/h3-5,10H,1-2H2.
What are the key properties of 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
3-(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 3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130061644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).