1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene

C12H9F15 — CID 23440024

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C)(C(F)(F)F)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F15/c1-4(8(13,14)15)5(6(2,9(16,17)18)10(19,20)21)7(3,11(22,23)24)12(25,26)27/h1-3H3
InChIKeyWGVHNOOEKIVHJN-UHFFFAOYSA-N
MW438.17 g/mol
LogP7.13
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene

1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene (PubChem CID 23440024) has the molecular formula C12H9F15 and a molecular weight of 438.17 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
PubChem CID23440024
Molecular FormulaC12H9F15
Molecular Weight438.17 g/mol
Exact Mass438.05
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(C)(C(F)(F)F)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H9F15/c1-4(8(13,14)15)5(6(2,9(16,17)18)10(19,20)21)7(3,11(22,23)24)12(25,26)27/h1-3H3
InChIKeyWGVHNOOEKIVHJN-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.17
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene with MolForge

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Related Compounds

ethane;(E)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
CID 142059111
2-chloro-1,1,1,4,4,4-hexafluoro-3-methylbut-2-ene
CID 54404370
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
4,4-difluoro-2,3-dimethylpent-2-ene
CID 144510930
(3E)-1,1,1,5,5,6,6,6-octafluoro-3-(1-fluoroethylidene)-4-methyl-4-(trifluoromethyl)hexan-2-one
CID 10547106
1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pent-2-ene
CID 149142843
(E)-1,1,1,3-tetrafluoro-2,4-dimethylpent-2-ene
CID 59911452
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 173413742
(Z)-1,1,1,3-tetrafluoro-2-methylpent-2-ene
CID 130289840
(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene
CID 11189008
1,1,1,2,5,5,5-heptafluoro-4,4-dimethyl-3-(trifluoromethyl)pent-2-ene
CID 59892543
1,1,1,3,4,4-hexafluoro-2-(trifluoromethyl)pent-2-ene
CID 130330536

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene (CID 23440024) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene is CC(=C(C(C)(C(F)(F)F)C(F)(F)F)C(C)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene?
The InChIKey is WGVHNOOEKIVHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F15/c1-4(8(13,14)15)5(6(2,9(16,17)18)10(19,20)21)7(3,11(22,23)24)12(25,26)27/h1-3H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene has a molecular weight of 438.17 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,4-dimethyl-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23440024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).