[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid

C12H20FO4PSi — CID 174402732

IUPAC[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid
SMILESC[Si](C)(C)CCC(O)(c1cccc(F)c1)P(=O)(O)O
InChIInChI=1S/C12H20FO4PSi/c1-19(2,3)8-7-12(14,18(15,16)17)10-5-4-6-11(13)9-10/h4-6,9,14H,7-8H2,1-3H3,(H2,15,16,17)
InChIKeyGYGARPPAXTWVCP-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.88
Rot. Bonds5

About [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid

[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid (PubChem CID 174402732) has the molecular formula C12H20FO4PSi and a molecular weight of 306.35 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid
PubChem CID174402732
Molecular FormulaC12H20FO4PSi
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid
SMILESC[Si](C)(C)CCC(O)(c1cccc(F)c1)P(=O)(O)O
InChIInChI=1S/C12H20FO4PSi/c1-19(2,3)8-7-12(14,18(15,16)17)10-5-4-6-11(13)9-10/h4-6,9,14H,7-8H2,1-3H3,(H2,15,16,17)
InChIKeyGYGARPPAXTWVCP-UHFFFAOYSA-N
XLogP2.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
CID 59612023
CID 59612023
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CID 143635660
[(3-fluorophenyl)-hydroxymethyl] 2-trimethylsilylethyl hydrogen phosphate
CID 91424254
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
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CID 71663464
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
2-(3-fluorophenyl)-2-hydroxypropanamide
CID 62213418
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
4,4-difluoro-4-(3-fluorophenyl)butan-2-one
CID 105454124
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid?
The IUPAC name of [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid (CID 174402732) is [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid.
What is the SMILES notation for [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid?
The canonical SMILES for [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid is C[Si](C)(C)CCC(O)(c1cccc(F)c1)P(=O)(O)O.
What is the InChIKey of [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid?
The InChIKey is GYGARPPAXTWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FO4PSi/c1-19(2,3)8-7-12(14,18(15,16)17)10-5-4-6-11(13)9-10/h4-6,9,14H,7-8H2,1-3H3,(H2,15,16,17).
What are the key properties of [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid?
[1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid has a molecular weight of 306.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-1-hydroxy-3-trimethylsilylpropyl]phosphonic acid is sourced from PubChem (CID 174402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).