6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene

C7H8F6 — CID 544463

IUPAC6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
SMILESCC=CCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2-3,5H,4H2,1H3
InChIKeyUBBONQWCEYYSJE-UHFFFAOYSA-N
MW206.13 g/mol
LogP3.69
Rot. Bonds2

About 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene

6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene (PubChem CID 544463) has the molecular formula C7H8F6 and a molecular weight of 206.13 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
PubChem CID544463
Molecular FormulaC7H8F6
Molecular Weight206.13 g/mol
Exact Mass206.05
IUPAC Name6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
SMILESCC=CCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2-3,5H,4H2,1H3
InChIKeyUBBONQWCEYYSJE-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
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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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene?
The IUPAC name of 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene (CID 544463) is 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene?
The canonical SMILES for 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene is CC=CCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene?
The InChIKey is UBBONQWCEYYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6/c1-2-3-4-5(6(8,9)10)7(11,12)13/h2-3,5H,4H2,1H3.
What are the key properties of 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene?
6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene has a molecular weight of 206.13 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 6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 544463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).