1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene

C12H10F12O — CID 141454662

IUPAC1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
SMILESFC(F)(F)C=CC(CC(F)(F)F)OC(C=CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C12H10F12O/c13-9(14,15)3-1-7(5-11(19,20)21)25-8(6-12(22,23)24)2-4-10(16,17)18/h1-4,7-8H,5-6H2
InChIKeyKEQFFRDCEAWBCC-UHFFFAOYSA-N
MW398.19 g/mol
LogP5.88
Rot. Bonds6

About 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene

1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene (PubChem CID 141454662) has the molecular formula C12H10F12O and a molecular weight of 398.19 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
PubChem CID141454662
Molecular FormulaC12H10F12O
Molecular Weight398.19 g/mol
Exact Mass398.05
IUPAC Name1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
SMILESFC(F)(F)C=CC(CC(F)(F)F)OC(C=CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C12H10F12O/c13-9(14,15)3-1-7(5-11(19,20)21)25-8(6-12(22,23)24)2-4-10(16,17)18/h1-4,7-8H,5-6H2
InChIKeyKEQFFRDCEAWBCC-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.19
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 13294463
2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
2-(Trifluoromethyl)-2,5-dihydrofuran
CID 21810352
trans-2,5-Difluoro-2-trifluoromethyl-2,5-dihydrofuran
CID 13700091
4-(Allyloxy)-5,5,5-trifluoro-1-pentene
CID 86077577
(Z)-3,4,4,5,5,6,6,6-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)hex-2-ene
CID 9979030
4,5,5-Trifluoro-3-(4,5,5-trifluoropent-1-en-3-yloxy)pent-1-ene
CID 21758843
4-(Difluoromethyl)-3-[4-(difluoromethyl)-4,5,5,5-tetrafluoropent-1-en-3-yl]oxy-4,5,5,5-tetrafluoropent-1-ene
CID 21758846
1,1,2-Trifluoro-3-(1,1,2-trifluoropenta-1,4-dien-3-yloxy)penta-1,4-diene
CID 22993249
2-(2,2,2-Trifluoroethyl)-2,5-dihydrofuran
CID 23542326
3-(3,3,3-Trifluoropropoxy)pent-1-ene
CID 53701501
5,5,5-Trifluoro-3-(5,5,5-trifluoropent-1-en-3-yloxy)pent-1-ene
CID 57173601

Frequently Asked Questions

What is the IUPAC name of 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene (CID 141454662) is 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene is FC(F)(F)C=CC(CC(F)(F)F)OC(C=CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
The InChIKey is KEQFFRDCEAWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F12O/c13-9(14,15)3-1-7(5-11(19,20)21)25-8(6-12(22,23)24)2-4-10(16,17)18/h1-4,7-8H,5-6H2.
What are the key properties of 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene?
1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene has a molecular weight of 398.19 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-4-(1,1,1,6,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene is sourced from PubChem (CID 141454662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).