diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane

C24H14F13P — CID 10555235

IUPACdiphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H14F13P/c25-19(26,20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37)15-11-13-18(14-12-15)38(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyXXPCCDHFSCVUBW-UHFFFAOYSA-N
MW580.32 g/mol
LogP7.64
Rot. Bonds8

About diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane

diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane (PubChem CID 10555235) has the molecular formula C24H14F13P and a molecular weight of 580.32 g/mol. Its IUPAC name is diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
PubChem CID10555235
Molecular FormulaC24H14F13P
Molecular Weight580.32 g/mol
Exact Mass580.06
IUPAC Namediphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H14F13P/c25-19(26,20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37)15-11-13-18(14-12-15)38(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKeyXXPCCDHFSCVUBW-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.32
LogP ≤ 57.64
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 diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane?
The IUPAC name of diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane (CID 10555235) is diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane.
What is the SMILES notation for diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane?
The canonical SMILES for diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane?
The InChIKey is XXPCCDHFSCVUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F13P/c25-19(26,20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37)15-11-13-18(14-12-15)38(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H.
What are the key properties of diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane?
diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane has a molecular weight of 580.32 g/mol, XLogP of 7.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane is sourced from PubChem (CID 10555235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).