(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium

C37H34F34P+ — CID 102100267

IUPAC(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium
SMILESC=Cc1ccc(C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C37H34F34P/c1-6-19-7-9-20(10-8-19)17-72(16-18(2)15-21(3,4)5,13-11-22(38,39)24(42,43)26(46,47)28(50,51)30(54,55)32(58,59)34(62,63)36(66,67)68)14-12-23(40,41)25(44,45)27(48,49)29(52,53)31(56,57)33(60,61)35(64,65)37(69,70)71/h6-10,18H,1,11-17H2,2-5H3/q+1
InChIKeyIZYLOWFLECYJCN-UHFFFAOYSA-N
MW1155.58 g/mol
LogP17.72
Rot. Bonds24

About (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium

(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium (PubChem CID 102100267) has the molecular formula C37H34F34P+ and a molecular weight of 1155.58 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium
PubChem CID102100267
Molecular FormulaC37H34F34P+
Molecular Weight1155.58 g/mol
Exact Mass1155.18
IUPAC Name(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium
SMILESC=Cc1ccc(C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)CC(C)(C)C)cc1
InChIInChI=1S/C37H34F34P/c1-6-19-7-9-20(10-8-19)17-72(16-18(2)15-21(3,4)5,13-11-22(38,39)24(42,43)26(46,47)28(50,51)30(54,55)32(58,59)34(62,63)36(66,67)68)14-12-23(40,41)25(44,45)27(48,49)29(52,53)31(56,57)33(60,61)35(64,65)37(69,70)71/h6-10,18H,1,11-17H2,2-5H3/q+1
InChIKeyIZYLOWFLECYJCN-UHFFFAOYSA-N
XLogP17.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.58
LogP ≤ 517.72
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 (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium?
The IUPAC name of (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium (CID 102100267) is (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium.
What is the SMILES notation for (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium?
The canonical SMILES for (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium is C=Cc1ccc(C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)CC(C)(C)C)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium?
The InChIKey is IZYLOWFLECYJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F34P/c1-6-19-7-9-20(10-8-19)17-72(16-18(2)15-21(3,4)5,13-11-22(38,39)24(42,43)26(46,47)28(50,51)30(54,55)32(58,59)34(62,63)36(66,67)68)14-12-23(40,41)25(44,45)27(48,49)29(52,53)31(56,57)33(60,61)35(64,65)37(69,70)71/h6-10,18H,1,11-17H2,2-5H3/q+1.
What are the key properties of (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium?
(4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium has a molecular weight of 1155.58 g/mol, XLogP of 17.72, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-(2,4,4-trimethylpentyl)phosphanium is sourced from PubChem (CID 102100267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).