[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid

C8H8F3O4P — CID 70509742

IUPAC[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3O4P/c9-8(10,11)6-4-2-1-3-5(6)7(12)16(13,14)15/h1-4,7,12H,(H2,13,14,15)
InChIKeyQQQQXJRPEMTKMP-UHFFFAOYSA-N
MW256.12 g/mol
LogP1.87
Rot. Bonds2

About [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid

[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid (PubChem CID 70509742) has the molecular formula C8H8F3O4P and a molecular weight of 256.12 g/mol. Its IUPAC name is [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
PubChem CID70509742
Molecular FormulaC8H8F3O4P
Molecular Weight256.12 g/mol
Exact Mass256.01
IUPAC Name[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3O4P/c9-8(10,11)6-4-2-1-3-5(6)7(12)16(13,14)15/h1-4,7,12H,(H2,13,14,15)
InChIKeyQQQQXJRPEMTKMP-UHFFFAOYSA-N
XLogP1.87
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
hydroxy-[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 103574093
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10243770
3-fluoro-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 70428934

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid?
The IUPAC name of [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid (CID 70509742) is [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid?
The canonical SMILES for [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid is O=P(O)(O)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid?
The InChIKey is QQQQXJRPEMTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3O4P/c9-8(10,11)6-4-2-1-3-5(6)7(12)16(13,14)15/h1-4,7,12H,(H2,13,14,15).
What are the key properties of [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid?
[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid has a molecular weight of 256.12 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid is sourced from PubChem (CID 70509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).