6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene

C13H11F15 — CID 141084302

IUPAC6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F15/c1-3-6(2)4-5-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h3H,4-5H2,1-2H3
InChIKeyGOONFUZZXIPJPG-UHFFFAOYSA-N
MW452.20 g/mol
LogP7.11
Rot. Bonds7

About 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene

6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene (PubChem CID 141084302) has the molecular formula C13H11F15 and a molecular weight of 452.20 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene
PubChem CID141084302
Molecular FormulaC13H11F15
Molecular Weight452.20 g/mol
Exact Mass452.06
IUPAC Name6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene
SMILESCC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F15/c1-3-6(2)4-5-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h3H,4-5H2,1-2H3
InChIKeyGOONFUZZXIPJPG-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.20
LogP ≤ 57.11
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 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene (CID 141084302) is 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene is CC=C(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene?
The InChIKey is GOONFUZZXIPJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F15/c1-3-6(2)4-5-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h3H,4-5H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene?
6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene has a molecular weight of 452.20 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,11,11,11-dodecafluoro-3-methyl-10-(trifluoromethyl)undec-2-ene is sourced from PubChem (CID 141084302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).