(3,4,5-trifluorophenyl)phosphonic acid

C6H4F3O3P — CID 58262213

IUPAC(3,4,5-trifluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C6H4F3O3P/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)
InChIKeyOIVKSVMLPFPWQO-UHFFFAOYSA-N
MW212.06 g/mol
LogP0.91
Rot. Bonds1

About (3,4,5-trifluorophenyl)phosphonic acid

(3,4,5-trifluorophenyl)phosphonic acid (PubChem CID 58262213) has the molecular formula C6H4F3O3P and a molecular weight of 212.06 g/mol. Its IUPAC name is (3,4,5-trifluorophenyl)phosphonic acid.

Molecular Properties

Compound Name(3,4,5-trifluorophenyl)phosphonic acid
PubChem CID58262213
Molecular FormulaC6H4F3O3P
Molecular Weight212.06 g/mol
Exact Mass211.99
IUPAC Name(3,4,5-trifluorophenyl)phosphonic acid
SMILESO=P(O)(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C6H4F3O3P/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)
InChIKeyOIVKSVMLPFPWQO-UHFFFAOYSA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trifluorophenyl)phosphonic acid?
The IUPAC name of (3,4,5-trifluorophenyl)phosphonic acid (CID 58262213) is (3,4,5-trifluorophenyl)phosphonic acid.
What is the SMILES notation for (3,4,5-trifluorophenyl)phosphonic acid?
The canonical SMILES for (3,4,5-trifluorophenyl)phosphonic acid is O=P(O)(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (3,4,5-trifluorophenyl)phosphonic acid?
The InChIKey is OIVKSVMLPFPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3O3P/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12).
What are the key properties of (3,4,5-trifluorophenyl)phosphonic acid?
(3,4,5-trifluorophenyl)phosphonic acid has a molecular weight of 212.06 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trifluorophenyl)phosphonic acid is sourced from PubChem (CID 58262213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).