3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

C6H4F8 — CID 20802293

IUPAC3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H4F8/c1-3(6(12,13)14)4(7,8)2-5(9,10)11/h1-2H2
InChIKeyPYLCCOSOWXVHLF-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.69
Rot. Bonds2

About 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (PubChem CID 20802293) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
PubChem CID20802293
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H4F8/c1-3(6(12,13)14)4(7,8)2-5(9,10)11/h1-2H2
InChIKeyPYLCCOSOWXVHLF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.69
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

1H-Perfluorohex-1-ene
CID 21455498
(1Z)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 14922985
(1E)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 71669145
2,3-Bis(trifluoromethyl)-1,3-butadiene
CID 85966595
1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)-1-pentene
CID 11311586
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
(E)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 23266236
4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 71429448
(Z)-1,4,4,5,5,5-hexafluoro-2-(trifluoromethyl)pent-1-ene
CID 87113279
5,5,5-Trifluoro-2-(trifluoromethyl)pent-1-ene
CID 139426621
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
3,3,4,4,4-Pentafluoro-2-(trifluoromethyl)-1-butene
CID 10899977

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (CID 20802293) is 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is C=C(C(F)(F)F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The InChIKey is PYLCCOSOWXVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c1-3(6(12,13)14)4(7,8)2-5(9,10)11/h1-2H2.
What are the key properties of 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene has a molecular weight of 228.08 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 20802293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).