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

C5H6FNO — CID 90389280

IUPAC4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFCC1=NOC2CC12
InChIInChI=1S/C5H6FNO/c6-2-4-3-1-5(3)8-7-4/h3,5H,1-2H2
InChIKeySQEJJKZVOKBGOC-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.73
Rot. Bonds1

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

4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 90389280) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID90389280
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFCC1=NOC2CC12
InChIInChI=1S/C5H6FNO/c6-2-4-3-1-5(3)8-7-4/h3,5H,1-2H2
InChIKeySQEJJKZVOKBGOC-UHFFFAOYSA-N
XLogP0.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 90389280) is 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is FCC1=NOC2CC12.
What is the InChIKey of 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is SQEJJKZVOKBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c6-2-4-3-1-5(3)8-7-4/h3,5H,1-2H2.
What are the key properties of 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 115.11 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 90389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).