1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene

C26H14F27P — CID 87882979

IUPAC1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)PC(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C15F16.C11H14F11P/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h;23H,2-6H2,1H3
InChIKeyVXVJMQNFDHNEOX-UHFFFAOYSA-N
MW870.32 g/mol
LogP13.79
Rot. Bonds11

About 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene

1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene (PubChem CID 87882979) has the molecular formula C26H14F27P and a molecular weight of 870.32 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene
PubChem CID87882979
Molecular FormulaC26H14F27P
Molecular Weight870.32 g/mol
Exact Mass870.04
IUPAC Name1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)PC(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C15F16.C11H14F11P/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h;23H,2-6H2,1H3
InChIKeyVXVJMQNFDHNEOX-UHFFFAOYSA-N
XLogP13.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.32
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene (CID 87882979) is 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene is CCCCCCC(F)(F)C(F)(F)C(F)(F)PC(F)(F)C(F)(F)F.Fc1c(F)c(F)c(-c2c(C(F)(F)F)c(F)c(F)c(F)c2C(F)(F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?
The InChIKey is VXVJMQNFDHNEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F16.C11H14F11P/c16-5-2(6(17)10(21)12(23)9(5)20)1-3(13(24,25)15(29,30)31)7(18)11(22)8(19)4(1)14(26,27)28;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h;23H,2-6H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene?
1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene has a molecular weight of 870.32 g/mol, XLogP of 13.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluorononyl(1,1,2,2,2-pentafluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 87882979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).