4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

C5H4F3NO — CID 90401344

IUPAC4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFC(F)(F)C1=NOC2CC12
InChIInChI=1S/C5H4F3NO/c6-5(7,8)4-2-1-3(2)10-9-4/h2-3H,1H2
InChIKeyXGEVBJPUXQQXIO-UHFFFAOYSA-N
MW151.09 g/mol
LogP1.32
Rot. Bonds

About 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 90401344) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID90401344
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFC(F)(F)C1=NOC2CC12
InChIInChI=1S/C5H4F3NO/c6-5(7,8)4-2-1-3(2)10-9-4/h2-3H,1H2
InChIKeyXGEVBJPUXQQXIO-UHFFFAOYSA-N
XLogP1.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 90401344) is 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is FC(F)(F)C1=NOC2CC12.
What is the InChIKey of 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is XGEVBJPUXQQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c6-5(7,8)4-2-1-3(2)10-9-4/h2-3H,1H2.
What are the key properties of 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 151.09 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 90401344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).