1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene

C7H6F6 — CID 71389795

IUPAC1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
SMILESCC(C)=C(F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3(2)5(8)4(6(9)10)7(11,12)13/h1-2H3
InChIKeyXOFAZHHXFYRUKG-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.96
Rot. Bonds1

About 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene

1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene (PubChem CID 71389795) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
PubChem CID71389795
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
SMILESCC(C)=C(F)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3(2)5(8)4(6(9)10)7(11,12)13/h1-2H3
InChIKeyXOFAZHHXFYRUKG-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.96
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 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene (CID 71389795) is 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene is CC(C)=C(F)C(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?
The InChIKey is XOFAZHHXFYRUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3(2)5(8)4(6(9)10)7(11,12)13/h1-2H3.
What are the key properties of 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?
1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene has a molecular weight of 204.11 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 71389795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).