[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid

C7H7F3O5P2 — CID 118861926

IUPAC[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OP(=O)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C7H7F3O5P2/c8-7(9,10)17(13,14)15-16(11,12)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyNQTAQGKIRFFOJT-UHFFFAOYSA-N
MW290.07 g/mol
LogP2.22
Rot. Bonds3

About [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid

[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid (PubChem CID 118861926) has the molecular formula C7H7F3O5P2 and a molecular weight of 290.07 g/mol. Its IUPAC name is [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid.

Molecular Properties

Compound Name[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
PubChem CID118861926
Molecular FormulaC7H7F3O5P2
Molecular Weight290.07 g/mol
Exact Mass289.97
IUPAC Name[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
SMILESO=P(O)(OP(=O)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C7H7F3O5P2/c8-7(9,10)17(13,14)15-16(11,12)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyNQTAQGKIRFFOJT-UHFFFAOYSA-N
XLogP2.22
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
CID 58071529
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;terbium
CID 175289814
phenoxy(phenyl)phosphinic acid;phosphenous acid
CID 174870906
2-aminoethoxy(phenyl)phosphinic acid
CID 23257414
phenylphosphonamidic acid
CID 18388605
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid?
The IUPAC name of [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid (CID 118861926) is [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid.
What is the SMILES notation for [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid?
The canonical SMILES for [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid is O=P(O)(OP(=O)(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid?
The InChIKey is NQTAQGKIRFFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O5P2/c8-7(9,10)17(13,14)15-16(11,12)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H,13,14).
What are the key properties of [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid?
[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid has a molecular weight of 290.07 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid is sourced from PubChem (CID 118861926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).