2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene

C19H10F20O — CID 151926824

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene
SMILESFC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC=Cc1ccccc1
InChIInChI=1S/C19H10F20O/c20-10(8-11(21,22)23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40-7-6-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeySXXZFUAGGKVBMQ-UHFFFAOYSA-N
MW634.25 g/mol
LogP9.00
Rot. Bonds12

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene

2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene (PubChem CID 151926824) has the molecular formula C19H10F20O and a molecular weight of 634.25 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene
PubChem CID151926824
Molecular FormulaC19H10F20O
Molecular Weight634.25 g/mol
Exact Mass634.04
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene
SMILESFC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC=Cc1ccccc1
InChIInChI=1S/C19H10F20O/c20-10(8-11(21,22)23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40-7-6-9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeySXXZFUAGGKVBMQ-UHFFFAOYSA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.25
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene (CID 151926824) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene is FC(CC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC=Cc1ccccc1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene?
The InChIKey is SXXZFUAGGKVBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F20O/c20-10(8-11(21,22)23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40-7-6-9-4-2-1-3-5-9/h1-7,10H,8H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene?
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene has a molecular weight of 634.25 g/mol, XLogP of 9.00, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene is sourced from PubChem (CID 151926824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).