1,1,1-trifluoro-2,6-dimethylocta-2,4-diene

C10H15F3 — CID 91360400

IUPAC1,1,1-trifluoro-2,6-dimethylocta-2,4-diene
SMILESCCC(C)C=CC=C(C)C(F)(F)F
InChIInChI=1S/C10H15F3/c1-4-8(2)6-5-7-9(3)10(11,12)13/h5-8H,4H2,1-3H3
InChIKeyIHEHBXOSENNKKH-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.10
Rot. Bonds3

About 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene

1,1,1-trifluoro-2,6-dimethylocta-2,4-diene (PubChem CID 91360400) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene.

Molecular Properties

Compound Name1,1,1-trifluoro-2,6-dimethylocta-2,4-diene
PubChem CID91360400
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1,1,1-trifluoro-2,6-dimethylocta-2,4-diene
SMILESCCC(C)C=CC=C(C)C(F)(F)F
InChIInChI=1S/C10H15F3/c1-4-8(2)6-5-7-9(3)10(11,12)13/h5-8H,4H2,1-3H3
InChIKeyIHEHBXOSENNKKH-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.10
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-2,6-dimethylocta-2,4-diene?
The IUPAC name of 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene (CID 91360400) is 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene.
What is the SMILES notation for 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene?
The canonical SMILES for 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene is CCC(C)C=CC=C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene?
The InChIKey is IHEHBXOSENNKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-4-8(2)6-5-7-9(3)10(11,12)13/h5-8H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene?
1,1,1-trifluoro-2,6-dimethylocta-2,4-diene has a molecular weight of 192.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,6-dimethylocta-2,4-diene is sourced from PubChem (CID 91360400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).