2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole

C8H5Cl3F3N2OP — CID 2784514

IUPAC2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole
SMILESFC(F)(F)C1=NN(c2ccccc2)P(Cl)(Cl)(Cl)O1
InChIInChI=1S/C8H5Cl3F3N2OP/c9-18(10,11)16(6-4-2-1-3-5-6)15-7(17-18)8(12,13)14/h1-5H
InChIKeyPVJNAVXFXFCWBM-UHFFFAOYSA-N
MW339.47 g/mol
LogP5.24
Rot. Bonds1

About 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole

2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole (PubChem CID 2784514) has the molecular formula C8H5Cl3F3N2OP and a molecular weight of 339.47 g/mol. Its IUPAC name is 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole.

Molecular Properties

Compound Name2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole
PubChem CID2784514
Molecular FormulaC8H5Cl3F3N2OP
Molecular Weight339.47 g/mol
Exact Mass337.92
IUPAC Name2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole
SMILESFC(F)(F)C1=NN(c2ccccc2)P(Cl)(Cl)(Cl)O1
InChIInChI=1S/C8H5Cl3F3N2OP/c9-18(10,11)16(6-4-2-1-3-5-6)15-7(17-18)8(12,13)14/h1-5H
InChIKeyPVJNAVXFXFCWBM-UHFFFAOYSA-N
XLogP5.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.47
LogP ≤ 55.24
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 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole?
The IUPAC name of 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole (CID 2784514) is 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole.
What is the SMILES notation for 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole?
The canonical SMILES for 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole is FC(F)(F)C1=NN(c2ccccc2)P(Cl)(Cl)(Cl)O1.
What is the InChIKey of 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole?
The InChIKey is PVJNAVXFXFCWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F3N2OP/c9-18(10,11)16(6-4-2-1-3-5-6)15-7(17-18)8(12,13)14/h1-5H.
What are the key properties of 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole?
2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole has a molecular weight of 339.47 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-3-phenyl-5-(trifluoromethyl)-1,3,4,2lambda5-oxadiazaphosphole is sourced from PubChem (CID 2784514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).