1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene

C11H6F16 — CID 151133152

IUPAC1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene
SMILESFCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C11H6F16/c12-2-1-7(18,19)10(24,11(25,26)27)9(22,23)6(17)8(20,21)4(14)3(13)5(15)16/h4,6H,1-2H2
InChIKeyMUQPXAYDPDBQSS-UHFFFAOYSA-N
MW442.14 g/mol
LogP6.28
Rot. Bonds8

About 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene

1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene (PubChem CID 151133152) has the molecular formula C11H6F16 and a molecular weight of 442.14 g/mol. Its IUPAC name is 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene
PubChem CID151133152
Molecular FormulaC11H6F16
Molecular Weight442.14 g/mol
Exact Mass442.02
IUPAC Name1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene
SMILESFCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)C(F)C(F)=C(F)F
InChIInChI=1S/C11H6F16/c12-2-1-7(18,19)10(24,11(25,26)27)9(22,23)6(17)8(20,21)4(14)3(13)5(15)16/h4,6H,1-2H2
InChIKeyMUQPXAYDPDBQSS-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.14
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene?
The IUPAC name of 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene (CID 151133152) is 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene.
What is the SMILES notation for 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene?
The canonical SMILES for 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene is FCCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)C(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene?
The InChIKey is MUQPXAYDPDBQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16/c12-2-1-7(18,19)10(24,11(25,26)27)9(22,23)6(17)8(20,21)4(14)3(13)5(15)16/h4,6H,1-2H2.
What are the key properties of 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene?
1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene has a molecular weight of 442.14 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,5,6,6,7,8,8,10-tridecafluoro-7-(trifluoromethyl)dec-1-ene is sourced from PubChem (CID 151133152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).