[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid

C14H13F2O3P — CID 66796365

IUPAC[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccccc1F)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19)
InChIKeyGQOBJCVROVMNAT-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.41
Rot. Bonds3

About [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid

[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid (PubChem CID 66796365) has the molecular formula C14H13F2O3P and a molecular weight of 298.23 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid
PubChem CID66796365
Molecular FormulaC14H13F2O3P
Molecular Weight298.23 g/mol
Exact Mass298.06
IUPAC Name[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid
SMILESCC(c1ccc(F)cc1)(c1ccccc1F)P(=O)(O)O
InChIInChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19)
InChIKeyGQOBJCVROVMNAT-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(4-fluorophenyl)ethylphosphonic acid
CID 66796812
1-[(4-chlorophenyl)-dimethoxyphosphoryl-(4-fluorophenyl)methyl]-2-fluorobenzene
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1-(2-fluorophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
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4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
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CID 22572271
2-fluoro-2-(2-fluorophenyl)propanal
CID 105434360
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
1-(4-chlorophenyl)-1-(2-fluorophenyl)ethanol
CID 55026142
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The IUPAC name of [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid (CID 66796365) is [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The canonical SMILES for [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid is CC(c1ccc(F)cc1)(c1ccccc1F)P(=O)(O)O.
What is the InChIKey of [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The InChIKey is GQOBJCVROVMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2O3P/c1-14(20(17,18)19,10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19).
What are the key properties of [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid?
[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid has a molecular weight of 298.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid is sourced from PubChem (CID 66796365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).