fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid

C9H6F7O3P — CID 87221955

IUPACfluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
SMILESO=P(O)(F)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H6F7O3P/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)19-20(16,17)18/h1-5H,(H,17,18)
InChIKeyRDWUCSZHIUUJPQ-UHFFFAOYSA-N
MW326.10 g/mol
LogP4.09
Rot. Bonds5

About fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid

fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid (PubChem CID 87221955) has the molecular formula C9H6F7O3P and a molecular weight of 326.10 g/mol. Its IUPAC name is fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
PubChem CID87221955
Molecular FormulaC9H6F7O3P
Molecular Weight326.10 g/mol
Exact Mass325.99
IUPAC Namefluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid
SMILESO=P(O)(F)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1
InChIInChI=1S/C9H6F7O3P/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)19-20(16,17)18/h1-5H,(H,17,18)
InChIKeyRDWUCSZHIUUJPQ-UHFFFAOYSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.10
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
(1,1,2,2,3,3-hexafluoro-3-iodopropyl)benzene
CID 163925016
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
4-[difluoro(phosphono)methyl]benzoic acid
CID 46878697
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
sodium [4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl] phenyl phosphate
CID 101423427
[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
CID 162514642
1-dimethoxyphosphoryl-2,2,2-trifluoro-1-phenylethanol
CID 102046247
(2-tritylphenyl) dihydrogen phosphate
CID 69421021
benzene;difluorophosphinic acid
CID 175464766
(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid
CID 172997880
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164

Frequently Asked Questions

What is the IUPAC name of fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid?
The IUPAC name of fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid (CID 87221955) is fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid.
What is the SMILES notation for fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid?
The canonical SMILES for fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid is O=P(O)(F)OC(F)(F)C(F)(F)C(F)(F)c1ccccc1.
What is the InChIKey of fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid?
The InChIKey is RDWUCSZHIUUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7O3P/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)19-20(16,17)18/h1-5H,(H,17,18).
What are the key properties of fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid?
fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid has a molecular weight of 326.10 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(1,1,2,2,3,3-hexafluoro-3-phenylpropoxy)phosphinic acid is sourced from PubChem (CID 87221955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).