(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid

C15H16F3O7PS — CID 161423023

IUPAC(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid
SMILESO=P(O)(O)C(O)C(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H15O4P.CHF3O3S/c15-14(19(16,17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13-15H,(H2,16,17,18);(H,5,6,7)
InChIKeyVWZJRQDAGQJHAE-UHFFFAOYSA-N
MW428.32 g/mol
LogP2.71
Rot. Bonds4

About (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid

(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid (PubChem CID 161423023) has the molecular formula C15H16F3O7PS and a molecular weight of 428.32 g/mol. Its IUPAC name is (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid
PubChem CID161423023
Molecular FormulaC15H16F3O7PS
Molecular Weight428.32 g/mol
Exact Mass428.03
IUPAC Name(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid
SMILESO=P(O)(O)C(O)C(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H15O4P.CHF3O3S/c15-14(19(16,17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13-15H,(H2,16,17,18);(H,5,6,7)
InChIKeyVWZJRQDAGQJHAE-UHFFFAOYSA-N
XLogP2.71
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 11441475
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CID 58658737
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benzene;copper;trifluoromethanesulfonic acid
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CID 54168941
(1S)-1,2,2-triphenylethanol
CID 38988933
(1S,2S)-N',N'-dimethyl-1,2-diphenylethane-1,2-diamine;trifluoromethanesulfonic acid
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(4,4,4-trifluoro-2-phenylbutyl)phosphonic acid
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CID 158410335

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid?
The IUPAC name of (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid (CID 161423023) is (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid.
What is the SMILES notation for (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid?
The canonical SMILES for (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid is O=P(O)(O)C(O)C(c1ccccc1)c1ccccc1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid?
The InChIKey is VWZJRQDAGQJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P.CHF3O3S/c15-14(19(16,17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13-15H,(H2,16,17,18);(H,5,6,7).
What are the key properties of (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid?
(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid has a molecular weight of 428.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid is sourced from PubChem (CID 161423023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).