1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene

C13H8Cl2F3O2P — CID 71447117

IUPAC1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene
SMILESO=P(Cl)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H8Cl2F3O2P/c14-21(15,19)12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)13(16,17)18/h1-8H
InChIKeyJLCOPFBYWIVTFY-UHFFFAOYSA-N
MW355.08 g/mol
LogP5.79
Rot. Bonds3

About 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene

1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene (PubChem CID 71447117) has the molecular formula C13H8Cl2F3O2P and a molecular weight of 355.08 g/mol. Its IUPAC name is 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene
PubChem CID71447117
Molecular FormulaC13H8Cl2F3O2P
Molecular Weight355.08 g/mol
Exact Mass353.96
IUPAC Name1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene
SMILESO=P(Cl)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H8Cl2F3O2P/c14-21(15,19)12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)13(16,17)18/h1-8H
InChIKeyJLCOPFBYWIVTFY-UHFFFAOYSA-N
XLogP5.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.08
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-dichlorophosphorylphenoxy)-4-(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

Related Compounds

1-[chloro(ethoxy)phosphoryl]-4-(trifluoromethyl)benzene
CID 21054122
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
CID 163225602
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
2-[4-bis(ethenyl)phosphorylphenyl]-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 169108639
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 154164722

Frequently Asked Questions

What is the IUPAC name of 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene (CID 71447117) is 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene is O=P(Cl)(Cl)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene?
The InChIKey is JLCOPFBYWIVTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3O2P/c14-21(15,19)12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)13(16,17)18/h1-8H.
What are the key properties of 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene?
1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene has a molecular weight of 355.08 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dichlorophosphorylphenoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71447117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).