[4-(trifluoromethyl)phenyl]phosphonic acid

C7H6F3O3P — CID 12670619

IUPAC[4-(trifluoromethyl)phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3O3P/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyHJMPWNMEAAWAIW-UHFFFAOYSA-N
MW226.09 g/mol
LogP1.51
Rot. Bonds1

About [4-(trifluoromethyl)phenyl]phosphonic acid

[4-(trifluoromethyl)phenyl]phosphonic acid (PubChem CID 12670619) has the molecular formula C7H6F3O3P and a molecular weight of 226.09 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]phosphonic acid
PubChem CID12670619
Molecular FormulaC7H6F3O3P
Molecular Weight226.09 g/mol
Exact Mass226.00
IUPAC Name[4-(trifluoromethyl)phenyl]phosphonic acid
SMILESO=P(O)(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3O3P/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyHJMPWNMEAAWAIW-UHFFFAOYSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)phenyl]phosphonic acid 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 [4-(trifluoromethyl)phenyl]phosphonic acid?
The IUPAC name of [4-(trifluoromethyl)phenyl]phosphonic acid (CID 12670619) is [4-(trifluoromethyl)phenyl]phosphonic acid.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]phosphonic acid?
The canonical SMILES for [4-(trifluoromethyl)phenyl]phosphonic acid is O=P(O)(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]phosphonic acid?
The InChIKey is HJMPWNMEAAWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3O3P/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of [4-(trifluoromethyl)phenyl]phosphonic acid?
[4-(trifluoromethyl)phenyl]phosphonic acid has a molecular weight of 226.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]phosphonic acid is sourced from PubChem (CID 12670619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).