3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene

C6H3F9 — CID 2775065

IUPAC3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2-3(7,5(10,11)12)4(8,9)6(13,14)15/h2H,1H2
InChIKeyGBZVNPLYXNEEFL-UHFFFAOYSA-N
MW246.07 g/mol
LogP3.64
Rot. Bonds2

About 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene

3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene (PubChem CID 2775065) has the molecular formula C6H3F9 and a molecular weight of 246.07 g/mol. Its IUPAC name is 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
PubChem CID2775065
Molecular FormulaC6H3F9
Molecular Weight246.07 g/mol
Exact Mass246.01
IUPAC Name3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9/c1-2-3(7,5(10,11)12)4(8,9)6(13,14)15/h2H,1H2
InChIKeyGBZVNPLYXNEEFL-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 53.64
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

CID 88054
CID 88054
CID 78990
CID 78990
CID 67727
CID 67727
CID 2777831
CID 2777831
CID 23233249
CID 23233249
CID 23233250
CID 23233250
CID 54420071
CID 54420071
CID 54481349
CID 54481349
CID 74023403
CID 74023403
CID 74482
CID 74482
CID 2782629
CID 2782629
CID 11446484
CID 11446484

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene (CID 2775065) is 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene is C=CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene?
The InChIKey is GBZVNPLYXNEEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9/c1-2-3(7,5(10,11)12)4(8,9)6(13,14)15/h2H,1H2.
What are the key properties of 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene?
3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene has a molecular weight of 246.07 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 2775065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).