5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene

C11H9F13 — CID 21254186

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3H,4H2,1-2H3
InChIKeyFXVJNHQYJAGRNL-UHFFFAOYSA-N
MW388.17 g/mol
LogP6.08
Rot. Bonds6

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene (PubChem CID 21254186) has the molecular formula C11H9F13 and a molecular weight of 388.17 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene
PubChem CID21254186
Molecular FormulaC11H9F13
Molecular Weight388.17 g/mol
Exact Mass388.05
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene
SMILESCC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3H,4H2,1-2H3
InChIKeyFXVJNHQYJAGRNL-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.17
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene (CID 21254186) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene is CC(C)=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene?
The InChIKey is FXVJNHQYJAGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3H,4H2,1-2H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene has a molecular weight of 388.17 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-2-ene is sourced from PubChem (CID 21254186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).