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

C5H5F2NO — CID 90389379

IUPAC4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFC(F)C1=NOC2CC12
InChIInChI=1S/C5H5F2NO/c6-5(7)4-2-1-3(2)9-8-4/h2-3,5H,1H2
InChIKeyLAZRDNVJULFFKB-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.03
Rot. Bonds1

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

4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 90389379) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID90389379
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESFC(F)C1=NOC2CC12
InChIInChI=1S/C5H5F2NO/c6-5(7)4-2-1-3(2)9-8-4/h2-3,5H,1H2
InChIKeyLAZRDNVJULFFKB-UHFFFAOYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Fluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
CID 90389280
4-(Trifluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
CID 90401344
4-Methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
CID 118990144

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 90389379) is 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is FC(F)C1=NOC2CC12.
What is the InChIKey of 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is LAZRDNVJULFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c6-5(7)4-2-1-3(2)9-8-4/h2-3,5H,1H2.
What are the key properties of 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 133.10 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 90389379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).