3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene

C8H4F12 — CID 91712885

IUPAC3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20/h2-3H,1H2
InChIKeyVYFMJGIXOYMGGR-UHFFFAOYSA-N
MW328.10 g/mol
LogP4.61
Rot. Bonds3

About 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene

3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene (PubChem CID 91712885) has the molecular formula C8H4F12 and a molecular weight of 328.10 g/mol. Its IUPAC name is 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene
PubChem CID91712885
Molecular FormulaC8H4F12
Molecular Weight328.10 g/mol
Exact Mass328.01
IUPAC Name3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene
SMILESC=CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F12/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20/h2-3H,1H2
InChIKeyVYFMJGIXOYMGGR-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
CID 550456
3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hex-1-ene
CID 54481349
Ethene;3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene;1,1,2,2-tetrafluoroethene
CID 176369
Tetrafluoroethylene-hexafluoropropylene-vinylidene fluoride
CID 129734766
Tetrafluorovinylcyclobutane
CID 129801187
5,6,6,6-Tetrafluoro-5-(trifluoromethyl)hex-1-ene
CID 10878791
2,3,3,4-Tetrafluoro-4-(trifluoromethyl)hexa-1,5-diene
CID 18737307
3-Ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
CID 18755105
3,3,4,4,5,6,6,6-Octafluoro-5-methylhex-1-ene
CID 19780781
3-Ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene
CID 22277939
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hex-1-ene
CID 57317443
4,4-Difluoro-3,5-dimethyl-3,5-bis(trifluoromethyl)hepta-1,6-diene
CID 57603597

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene?
The IUPAC name of 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene (CID 91712885) is 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene?
The canonical SMILES for 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene is C=CC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene?
The InChIKey is VYFMJGIXOYMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12/c1-2-4(10,6(12,13)14)3(9)5(11,7(15,16)17)8(18,19)20/h2-3H,1H2.
What are the key properties of 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene?
3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene has a molecular weight of 328.10 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,6,6-hexafluoro-3,5-bis(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 91712885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).