1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene

C8H8F6 — CID 15191144

IUPAC1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene
SMILESCC(C)=CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6/c1-5(2)3-4-6(7(9,10)11)8(12,13)14/h3-4H,1-2H3
InChIKeyIBHWVJDTSPHTJG-UHFFFAOYSA-N
MW218.14 g/mol
LogP4.00
Rot. Bonds1

About 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene

1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene (PubChem CID 15191144) has the molecular formula C8H8F6 and a molecular weight of 218.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene
PubChem CID15191144
Molecular FormulaC8H8F6
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene
SMILESCC(C)=CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6/c1-5(2)3-4-6(7(9,10)11)8(12,13)14/h3-4H,1-2H3
InChIKeyIBHWVJDTSPHTJG-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene (CID 15191144) is 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene is CC(C)=CC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene?
The InChIKey is IBHWVJDTSPHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6/c1-5(2)3-4-6(7(9,10)11)8(12,13)14/h3-4H,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene?
1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene has a molecular weight of 218.14 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 15191144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).