(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene

C9F18 — CID 2778363

IUPAC(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene
SMILESF/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(4(12,8(22,23)24)9(25,26)27)1(5(13,14)15)3(11,6(16,17)18)7(19,20)21/b2-1+
InChIKeyLSSVYTAUPWOSRM-OWOJBTEDSA-N
MW450.06 g/mol
LogP6.44
Rot. Bonds2

About (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene

(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene (PubChem CID 2778363) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene
PubChem CID2778363
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene
SMILESF/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(4(12,8(22,23)24)9(25,26)27)1(5(13,14)15)3(11,6(16,17)18)7(19,20)21/b2-1+
InChIKeyLSSVYTAUPWOSRM-OWOJBTEDSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.06
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene with MolForge

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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
1,1,1,4,5,5,5-Heptafluoro-3-(pentafluoroethyl)-2,4-bis(trifluoromethyl)pent-2-ene
CID 121670
Perfluoro-4-methyl-2-pentene
CID 3484542
(2Z)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 9908930
2-Pentene, 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, (Z)-
CID 11012007
(2E)-1,1,1,2,4,4,5,5,5-Nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pent-2-ene
CID 11732112
Perfluoro(3-isopropyl-4-methyl-2-pentene)
CID 12708035
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
Perfluoro(3-ethyl-4-methyl-2-pentene)
CID 73077840
(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 10861355
Perfluoro-(2-isobutenyl-1,1,4,4-tetramethyl-1,3-butadiene)
CID 12571878

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene?
The IUPAC name of (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene (CID 2778363) is (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene.
What is the SMILES notation for (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene?
The canonical SMILES for (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene is F/C(=C(/C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene?
The InChIKey is LSSVYTAUPWOSRM-OWOJBTEDSA-N. The full InChI is InChI=1S/C9F18/c10-2(4(12,8(22,23)24)9(25,26)27)1(5(13,14)15)3(11,6(16,17)18)7(19,20)21/b2-1+.
What are the key properties of (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene?
(E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene has a molecular weight of 450.06 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3,5,6,6,6-nonafluoro-2,4,5-tris(trifluoromethyl)hex-3-ene is sourced from PubChem (CID 2778363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).