1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene

C16H19F13 — CID 2776160

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
SMILESCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3
InChIKeyUFXJXRIUXCGTRG-UHFFFAOYSA-N
MW458.30 g/mol
LogP8.03
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene (PubChem CID 2776160) has the molecular formula C16H19F13 and a molecular weight of 458.30 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
PubChem CID2776160
Molecular FormulaC16H19F13
Molecular Weight458.30 g/mol
Exact Mass458.13
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
SMILESCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3
InChIKeyUFXJXRIUXCGTRG-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.30
LogP ≤ 58.03
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-tridecafluorohexadec-7-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene (CID 2776160) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene is CCCCCCCCC=CC(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-tridecafluorohexadec-7-ene?
The InChIKey is UFXJXRIUXCGTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene has a molecular weight of 458.30 g/mol, XLogP of 8.03, 12 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-tridecafluorohexadec-7-ene is sourced from PubChem (CID 2776160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).