[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene

C15H14F3O3P — CID 3671978

IUPAC[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene
SMILESCP(=O)(Oc1ccccc1)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3O3P/c1-22(19,20-13-10-6-3-7-11-13)21-14(15(16,17)18)12-8-4-2-5-9-12/h2-11,14H,1H3
InChIKeyZJZCLKSFPMLRDW-UHFFFAOYSA-N
MW330.24 g/mol
LogP5.21
Rot. Bonds5

About [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene

[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene (PubChem CID 3671978) has the molecular formula C15H14F3O3P and a molecular weight of 330.24 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene
PubChem CID3671978
Molecular FormulaC15H14F3O3P
Molecular Weight330.24 g/mol
Exact Mass330.06
IUPAC Name[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene
SMILESCP(=O)(Oc1ccccc1)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3O3P/c1-22(19,20-13-10-6-3-7-11-13)21-14(15(16,17)18)12-8-4-2-5-9-12/h2-11,14H,1H3
InChIKeyZJZCLKSFPMLRDW-UHFFFAOYSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.24
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]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 [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene?
The IUPAC name of [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene (CID 3671978) is [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene.
What is the SMILES notation for [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene?
The canonical SMILES for [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene is CP(=O)(Oc1ccccc1)OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene?
The InChIKey is ZJZCLKSFPMLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3O3P/c1-22(19,20-13-10-6-3-7-11-13)21-14(15(16,17)18)12-8-4-2-5-9-12/h2-11,14H,1H3.
What are the key properties of [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene?
[2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene has a molecular weight of 330.24 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-[methyl(phenoxy)phosphoryl]oxyethyl]benzene is sourced from PubChem (CID 3671978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).