1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene

C7F14 — CID 11233394

IUPAC1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-2(1(4(11,12)13)5(14,15)16)3(9,10)6(17,18)7(19,20)21
InChIKeyXZAVUZHZFIVRKI-UHFFFAOYSA-N
MW350.05 g/mol
LogP5.17
Rot. Bonds2

About 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene

1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene (PubChem CID 11233394) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene
PubChem CID11233394
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-2(1(4(11,12)13)5(14,15)16)3(9,10)6(17,18)7(19,20)21
InChIKeyXZAVUZHZFIVRKI-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.05
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoro(2-methyl-2-pentene)
CID 74105
1,1,1,2,3,4,5,5,5(Or1,1,1,3,4,4,5,5,5)-nonafluoro-4(or2)-(trifluoromethyl)pent-2-ene
CID 2776241
Perfluorohept-3-ene
CID 10926147
(2E)-1,1,1,2,3,4,4,5,5,6,6,6-Dodecafluorohex-2-ene
CID 2782406
(2E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 2778718
Perfluoro-4-methyl-2-pentene
CID 3484542
Perfluoro-2-hexene
CID 4339537
2-Pentene, 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, (Z)-
CID 11012007
1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 53395405
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
1,1,1,2,2,3,4,5,5,6,6,7,7,7-Tetradecafluorohept-3-ene
CID 54342839
Perfluoro-2,2,9,9-tetramethyldeca-3,7-diene
CID 138396244

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene (CID 11233394) is 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene is FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene?
The InChIKey is XZAVUZHZFIVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-2(1(4(11,12)13)5(14,15)16)3(9,10)6(17,18)7(19,20)21.
What are the key properties of 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene?
1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene has a molecular weight of 350.05 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 11233394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).