3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole

C8H6F3N2OP — CID 162537743

IUPAC3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole
SMILESFC(F)(F)C1=NN(c2ccccc2)PO1
InChIInChI=1S/C8H6F3N2OP/c9-8(10,11)7-12-13(15-14-7)6-4-2-1-3-5-6/h1-5,15H
InChIKeySCSGZPBXULVTMK-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.91
Rot. Bonds1

About 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole

3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole (PubChem CID 162537743) has the molecular formula C8H6F3N2OP and a molecular weight of 234.12 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole
PubChem CID162537743
Molecular FormulaC8H6F3N2OP
Molecular Weight234.12 g/mol
Exact Mass234.02
IUPAC Name3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole
SMILESFC(F)(F)C1=NN(c2ccccc2)PO1
InChIInChI=1S/C8H6F3N2OP/c9-8(10,11)7-12-13(15-14-7)6-4-2-1-3-5-6/h1-5,15H
InChIKeySCSGZPBXULVTMK-UHFFFAOYSA-N
XLogP2.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole (CID 162537743) is 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole is FC(F)(F)C1=NN(c2ccccc2)PO1.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole?
The InChIKey is SCSGZPBXULVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N2OP/c9-8(10,11)7-12-13(15-14-7)6-4-2-1-3-5-6/h1-5,15H.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole?
3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole has a molecular weight of 234.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-2H-1,3,4,2-oxadiazaphosphole is sourced from PubChem (CID 162537743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).