ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid

C10H10F13O3P — CID 98463174

IUPACethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid
SMILESCCOP(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13O3P/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3,(H,24,25)
InChIKeyVCDRIXYHTRFOBV-UHFFFAOYSA-N
MW456.14 g/mol
LogP5.34
Rot. Bonds9

About ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid

ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid (PubChem CID 98463174) has the molecular formula C10H10F13O3P and a molecular weight of 456.14 g/mol. Its IUPAC name is ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid
PubChem CID98463174
Molecular FormulaC10H10F13O3P
Molecular Weight456.14 g/mol
Exact Mass456.02
IUPAC Nameethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid
SMILESCCOP(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13O3P/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3,(H,24,25)
InChIKeyVCDRIXYHTRFOBV-UHFFFAOYSA-N
XLogP5.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.14
LogP ≤ 55.34
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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Frequently Asked Questions

What is the IUPAC name of ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid?
The IUPAC name of ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid (CID 98463174) is ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid.
What is the SMILES notation for ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid?
The canonical SMILES for ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid is CCOP(=O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid?
The InChIKey is VCDRIXYHTRFOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13O3P/c1-2-26-27(24,25)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3,(H,24,25).
What are the key properties of ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid?
ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid has a molecular weight of 456.14 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphinic acid is sourced from PubChem (CID 98463174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).