1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene

C17H19F15 — CID 138396317

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene
SMILESCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F15/c1-2-3-4-5-6-7-8-9-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9-10H,2-8H2,1H3
InChIKeyIQKOXEYYVMJQGE-UHFFFAOYSA-N
MW508.31 g/mol
LogP8.67
Rot. Bonds13

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene (PubChem CID 138396317) has the molecular formula C17H19F15 and a molecular weight of 508.31 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene
PubChem CID138396317
Molecular FormulaC17H19F15
Molecular Weight508.31 g/mol
Exact Mass508.12
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene
SMILESCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F15/c1-2-3-4-5-6-7-8-9-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9-10H,2-8H2,1H3
InChIKeyIQKOXEYYVMJQGE-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.31
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene (CID 138396317) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene is CCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene?
The InChIKey is IQKOXEYYVMJQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F15/c1-2-3-4-5-6-7-8-9-10-11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h9-10H,2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene has a molecular weight of 508.31 g/mol, XLogP of 8.67, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptadec-8-ene is sourced from PubChem (CID 138396317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).