(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene

C8H11F3 — CID 22564685

IUPAC(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-6(2)4-5-7(3)8(9,10)11/h4-5H,1-3H3/b7-5-
InChIKeyXDXBCXDBFNODND-ALCCZGGFSA-N
MW164.17 g/mol
LogP3.46
Rot. Bonds1

About (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene

(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene (PubChem CID 22564685) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
PubChem CID22564685
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-6(2)4-5-7(3)8(9,10)11/h4-5H,1-3H3/b7-5-
InChIKeyXDXBCXDBFNODND-ALCCZGGFSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.46
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 (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene?
The IUPAC name of (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene (CID 22564685) is (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene?
The canonical SMILES for (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene is CC(C)=C/C=C(/C)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene?
The InChIKey is XDXBCXDBFNODND-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11F3/c1-6(2)4-5-7(3)8(9,10)11/h4-5H,1-3H3/b7-5-.
What are the key properties of (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene?
(2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene has a molecular weight of 164.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-2,5-dimethylhexa-2,4-diene is sourced from PubChem (CID 22564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).