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

C14H15F13 — CID 2776180

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
SMILESCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3
InChIKeyJNMMIYWYYKPWFO-UHFFFAOYSA-N
MW430.25 g/mol
LogP7.25
Rot. Bonds10

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

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene (PubChem CID 2776180) has the molecular formula C14H15F13 and a molecular weight of 430.25 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
PubChem CID2776180
Molecular FormulaC14H15F13
Molecular Weight430.25 g/mol
Exact Mass430.10
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
SMILESCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3
InChIKeyJNMMIYWYYKPWFO-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 57.25
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-tridecafluorotetradec-7-ene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene (CID 2776180) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene is CCCCCCC=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-tridecafluorotetradec-7-ene?
The InChIKey is JNMMIYWYYKPWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene has a molecular weight of 430.25 g/mol, XLogP of 7.25, 10 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-tridecafluorotetradec-7-ene is sourced from PubChem (CID 2776180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).