[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate

C8H6F3O5P — CID 139533143

IUPAC[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
SMILESO=Cc1ccc(OP(=O)(O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H6F3O5P/c9-8(10,11)6-3-5(4-12)1-2-7(6)16-17(13,14)15/h1-4H,(H2,13,14,15)
InChIKeyWTWZUXWIJLCMGH-UHFFFAOYSA-N
MW270.10 g/mol
LogP1.99
Rot. Bonds3

About [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate

[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate (PubChem CID 139533143) has the molecular formula C8H6F3O5P and a molecular weight of 270.10 g/mol. Its IUPAC name is [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
PubChem CID139533143
Molecular FormulaC8H6F3O5P
Molecular Weight270.10 g/mol
Exact Mass269.99
IUPAC Name[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
SMILESO=Cc1ccc(OP(=O)(O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H6F3O5P/c9-8(10,11)6-3-5(4-12)1-2-7(6)16-17(13,14)15/h1-4H,(H2,13,14,15)
InChIKeyWTWZUXWIJLCMGH-UHFFFAOYSA-N
XLogP1.99
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate (CID 139533143) is [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate is O=Cc1ccc(OP(=O)(O)O)c(C(F)(F)F)c1.
What is the InChIKey of [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate?
The InChIKey is WTWZUXWIJLCMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3O5P/c9-8(10,11)6-3-5(4-12)1-2-7(6)16-17(13,14)15/h1-4H,(H2,13,14,15).
What are the key properties of [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate?
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate has a molecular weight of 270.10 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 139533143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).