4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene

C5H4F6 — CID 20802310

IUPAC4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene
SMILESC=C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-3(5(9,10)11)2-4(6,7)8/h1-2H2
InChIKeyJIZADPXDLBDMAY-UHFFFAOYSA-N
MW178.07 g/mol
LogP3.06
Rot. Bonds1

About 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene

4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene (PubChem CID 20802310) has the molecular formula C5H4F6 and a molecular weight of 178.07 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene
PubChem CID20802310
Molecular FormulaC5H4F6
Molecular Weight178.07 g/mol
Exact Mass178.02
IUPAC Name4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene
SMILESC=C(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F6/c1-3(5(9,10)11)2-4(6,7)8/h1-2H2
InChIKeyJIZADPXDLBDMAY-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 53.06
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

1,1-Difluoro-2-methylenecyclopropane
CID 12590905
1,1-Difluoro-2-(trifluoromethyl)but-1-ene
CID 13115975
1,1,4,4,4-Pentafluoro-2-(trifluoromethyl)but-1-ene
CID 45933683
2,3-Bis(trifluoromethyl)-1,3-butadiene
CID 85966595
2,4,4,4-Tetrafluorobut-1-ene
CID 11983797
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
1,1-Difluoroethene;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
CID 87333662
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
(E)-1,2,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene
CID 13513463
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
(E)-1,3,3,3-tetrafluoro-2-methylprop-1-ene
CID 23236243

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene?
The IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene (CID 20802310) is 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene is C=C(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene?
The InChIKey is JIZADPXDLBDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-3(5(9,10)11)2-4(6,7)8/h1-2H2.
What are the key properties of 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene?
4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene has a molecular weight of 178.07 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 20802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).