1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene

C8H2F12O — CID 141454661

IUPAC1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene
SMILESFC(F)=C(F)C(OC(C(F)=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-1(5(11)12)3(7(15,16)17)21-4(8(18,19)20)2(10)6(13)14/h3-4H
InChIKeyJYLNFYGNCOSAFO-UHFFFAOYSA-N
MW342.08 g/mol
LogP5.02
Rot. Bonds4

About 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene

1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene (PubChem CID 141454661) has the molecular formula C8H2F12O and a molecular weight of 342.08 g/mol. Its IUPAC name is 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene
PubChem CID141454661
Molecular FormulaC8H2F12O
Molecular Weight342.08 g/mol
Exact Mass341.99
IUPAC Name1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene
SMILESFC(F)=C(F)C(OC(C(F)=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H2F12O/c9-1(5(11)12)3(7(15,16)17)21-4(8(18,19)20)2(10)6(13)14/h3-4H
InChIKeyJYLNFYGNCOSAFO-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.08
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene with MolForge

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Related Compounds

1,1,2,3,4,5,5,5-Octafluoro-3-(2,2,2-trifluoroethoxy)pent-1-ene
CID 10935863
1,1,2-Trifluoro-3-(1,1,2-trifluoropent-1-en-3-yloxy)pent-1-ene
CID 22600627
1,1,1,2,3,5,5,5-Octafluoro-4-(1,1,1,3,4,5,5,5-octafluoropent-3-en-2-yloxy)pent-2-ene
CID 57212045

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene?
The IUPAC name of 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene (CID 141454661) is 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene.
What is the SMILES notation for 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene?
The canonical SMILES for 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene is FC(F)=C(F)C(OC(C(F)=C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene?
The InChIKey is JYLNFYGNCOSAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F12O/c9-1(5(11)12)3(7(15,16)17)21-4(8(18,19)20)2(10)6(13)14/h3-4H.
What are the key properties of 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene?
1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene has a molecular weight of 342.08 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,4-hexafluoro-3-(1,1,1,3,4,4-hexafluorobut-3-en-2-yloxy)but-1-ene is sourced from PubChem (CID 141454661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).