1-diphenylphosphoryl-2-(trifluoromethyl)benzene

C19H14F3OP — CID 5232149

IUPAC1-diphenylphosphoryl-2-(trifluoromethyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3OP/c20-19(21,22)17-13-7-8-14-18(17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyYGWFTNJHJHEIMK-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.34
Rot. Bonds3

About 1-diphenylphosphoryl-2-(trifluoromethyl)benzene

1-diphenylphosphoryl-2-(trifluoromethyl)benzene (PubChem CID 5232149) has the molecular formula C19H14F3OP and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-(trifluoromethyl)benzene
PubChem CID5232149
Molecular FormulaC19H14F3OP
Molecular Weight346.29 g/mol
Exact Mass346.07
IUPAC Name1-diphenylphosphoryl-2-(trifluoromethyl)benzene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3OP/c20-19(21,22)17-13-7-8-14-18(17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyYGWFTNJHJHEIMK-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-diphenylphosphoryl-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-diphenylphosphoryl-2-(trifluoromethyl)benzene (CID 5232149) is 1-diphenylphosphoryl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-diphenylphosphoryl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-diphenylphosphoryl-2-(trifluoromethyl)benzene is O=P(c1ccccc1)(c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-diphenylphosphoryl-2-(trifluoromethyl)benzene?
The InChIKey is YGWFTNJHJHEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3OP/c20-19(21,22)17-13-7-8-14-18(17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1-diphenylphosphoryl-2-(trifluoromethyl)benzene?
1-diphenylphosphoryl-2-(trifluoromethyl)benzene has a molecular weight of 346.29 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 5232149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).