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

C9F18 — CID 12860796

IUPAC1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(1(4(13,14)15)5(16,17)18)3(11,12)6(7(19,20)21,8(22,23)24)9(25,26)27
InChIKeyORGUEFMMFUNIRG-UHFFFAOYSA-N
MW450.06 g/mol
LogP6.64
Rot. Bonds2

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

1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene (PubChem CID 12860796) has the molecular formula C9F18 and a molecular weight of 450.06 g/mol. Its IUPAC name is 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene
PubChem CID12860796
Molecular FormulaC9F18
Molecular Weight450.06 g/mol
Exact Mass449.97
IUPAC Name1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene
SMILESFC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F18/c10-2(1(4(13,14)15)5(16,17)18)3(11,12)6(7(19,20)21,8(22,23)24)9(25,26)27
InChIKeyORGUEFMMFUNIRG-UHFFFAOYSA-N
XLogP6.64
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 ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

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CID 54050815
Perfluoro-2,2,9,9-tetramethyldeca-3,7-diene
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Perfluoro-2,6,6-trimethyl-2-heptene
CID 12660884
Perfluoro-3,4-dimethyl-4-ethylhex-2-ene
CID 527537
2-Hexene, 4-ethyl, 3,4-dimethyl, perfluoro-
CID 5352546
3-Hexene, 3,4-dimethyl, perfluoro-
CID 5352547
(5E)-1,1,1,4,4,5,7,8,8,8-decafluoro-2,3,6,7-tetrakis(trifluoromethyl)octa-2,5-diene
CID 12710297
Hexafluoropropene trimer, 97
CID 2778363
1,1,1,3,4,5,6,6,6-Nonafluoro-2,4,5-tris(trifluoromethyl)hex-2-ene
CID 13287565
1,1,1,4,5,5,5-Heptafluoro-2,3,4-tris(trifluoromethyl)pent-2-ene
CID 14508571
1,1,1,3,5,5,6,6,6-Nonafluoro-4-(1,1,2,2,2-pentafluoroethyl)-2,4-bis(trifluoromethyl)hex-2-ene
CID 19047903
(E)-1,1,1,2,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,4-bis(trifluoromethyl)pent-2-ene
CID 22642014

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene (CID 12860796) is 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene is FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene?
The InChIKey is ORGUEFMMFUNIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18/c10-2(1(4(13,14)15)5(16,17)18)3(11,12)6(7(19,20)21,8(22,23)24)9(25,26)27.
What are the key properties of 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene?
1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene has a molecular weight of 450.06 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,4,6,6,6-nonafluoro-2,5,5-tris(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 12860796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).