6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene

C12H8F16 — CID 58901252

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F16/c1-2-3-5(7(15,16)17)4-6(13,14)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h2,5H,1,3-4H2
InChIKeyHUPKCURNMKFRQV-UHFFFAOYSA-N
MW456.16 g/mol
LogP6.87
Rot. Bonds8

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene (PubChem CID 58901252) has the molecular formula C12H8F16 and a molecular weight of 456.16 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene
PubChem CID58901252
Molecular FormulaC12H8F16
Molecular Weight456.16 g/mol
Exact Mass456.04
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene
SMILESC=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F16/c1-2-3-5(7(15,16)17)4-6(13,14)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h2,5H,1,3-4H2
InChIKeyHUPKCURNMKFRQV-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.16
LogP ≤ 56.87
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 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene (CID 58901252) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene is C=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene?
The InChIKey is HUPKCURNMKFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F16/c1-2-3-5(7(15,16)17)4-6(13,14)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h2,5H,1,3-4H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene has a molecular weight of 456.16 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-(trifluoromethyl)undec-1-ene is sourced from PubChem (CID 58901252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).