phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane

C22H13F26P — CID 10855350

IUPACphenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCP(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H13F26P/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)6-8-49(10-4-2-1-3-5-10)9-7-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-5H,6-9H2
InChIKeyHKZQZMKTYFUILT-UHFFFAOYSA-N
MW802.27 g/mol
LogP11.05
Rot. Bonds15

About phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane

phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane (PubChem CID 10855350) has the molecular formula C22H13F26P and a molecular weight of 802.27 g/mol. Its IUPAC name is phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane.

Molecular Properties

Compound Namephenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
PubChem CID10855350
Molecular FormulaC22H13F26P
Molecular Weight802.27 g/mol
Exact Mass802.03
IUPAC Namephenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCP(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H13F26P/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)6-8-49(10-4-2-1-3-5-10)9-7-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-5H,6-9H2
InChIKeyHKZQZMKTYFUILT-UHFFFAOYSA-N
XLogP11.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.27
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane?
The IUPAC name of phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane (CID 10855350) is phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane.
What is the SMILES notation for phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane?
The canonical SMILES for phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCP(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane?
The InChIKey is HKZQZMKTYFUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F26P/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)6-8-49(10-4-2-1-3-5-10)9-7-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-5H,6-9H2.
What are the key properties of phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane?
phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane has a molecular weight of 802.27 g/mol, XLogP of 11.05, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphane is sourced from PubChem (CID 10855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).