phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid

C16H15F4O3P — CID 58071529

IUPACphenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
SMILESCC(F)(F)C(F)(F)C(OP(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15F4O3P/c1-15(17,18)16(19,20)14(12-8-4-2-5-9-12)23-24(21,22)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,21,22)
InChIKeyDCVTURZBVTWCLJ-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.55
Rot. Bonds6

About phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid

phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid (PubChem CID 58071529) has the molecular formula C16H15F4O3P and a molecular weight of 362.26 g/mol. Its IUPAC name is phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid.

Molecular Properties

Compound Namephenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
PubChem CID58071529
Molecular FormulaC16H15F4O3P
Molecular Weight362.26 g/mol
Exact Mass362.07
IUPAC Namephenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
SMILESCC(F)(F)C(F)(F)C(OP(=O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15F4O3P/c1-15(17,18)16(19,20)14(12-8-4-2-5-9-12)23-24(21,22)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,21,22)
InChIKeyDCVTURZBVTWCLJ-UHFFFAOYSA-N
XLogP4.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.55
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

(2,2-dichloro-1-diphenylphosphoryloxy-3,3,3-trifluoropropyl)benzene
CID 4227058
[hydroxy(phenyl)phosphoryl]oxy-(trifluoromethyl)phosphinic acid
CID 118861926
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
1-[(1S)-1-diphenylphosphoryloxy-2,2,2-trifluoroethyl]-4-fluorobenzene
CID 2054839
bis[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentyl] phenyl phosphate
CID 99683434
butyl-(2,2,2-trifluoro-1-phenylethoxy)phosphinate
CID 154047216
diphenyl [2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propyl] phosphate
CID 3462389
1-fluoro-4-[methyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphoryl]oxybenzene
CID 11864620
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
phenyl(trichloromethoxy)phosphinic acid
CID 88763731

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid?
The IUPAC name of phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid (CID 58071529) is phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid.
What is the SMILES notation for phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid?
The canonical SMILES for phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid is CC(F)(F)C(F)(F)C(OP(=O)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid?
The InChIKey is DCVTURZBVTWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4O3P/c1-15(17,18)16(19,20)14(12-8-4-2-5-9-12)23-24(21,22)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,21,22).
What are the key properties of phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid?
phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid has a molecular weight of 362.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid is sourced from PubChem (CID 58071529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).