4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

C6H4F8 — CID 71429448

IUPAC4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c1-3(5(9,10)11)2-4(7,8)6(12,13)14/h1-2H2
InChIKeyQUBWAWBAEZVWFL-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.69
Rot. Bonds2

About 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene

4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (PubChem CID 71429448) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
PubChem CID71429448
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene
SMILESC=C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8/c1-3(5(9,10)11)2-4(7,8)6(12,13)14/h1-2H2
InChIKeyQUBWAWBAEZVWFL-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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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
(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
1,1,1,2,3,3-Hexafluoro-5-methylhexene-5
CID 12562976
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
1,1,2,2-Tetrafluoro-3-methylenecyclobutane
CID 12637091
3,3,4,4,4-Pentafluoro-2-methylbut-1-ene
CID 19091140
1,1,3,3-Tetrafluoro-2-(trifluoromethyl)pent-1-ene
CID 19788864
3,3,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 20802293
4,4,4-Trifluoro-2-(trifluoromethyl)but-1-ene
CID 20802310

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene (CID 71429448) is 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is C=C(CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
The InChIKey is QUBWAWBAEZVWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c1-3(5(9,10)11)2-4(7,8)6(12,13)14/h1-2H2.
What are the key properties of 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene?
4,4,5,5,5-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 4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 71429448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).