2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene

C10H15F3O — CID 88576082

IUPAC2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
SMILESCC(C)=CC(OCC(F)(F)F)=C(C)C
InChIInChI=1S/C10H15F3O/c1-7(2)5-9(8(3)4)14-6-10(11,12)13/h5H,6H2,1-4H3
InChIKeyUBBPCAAZOJFUFC-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.83
Rot. Bonds3

About 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene

2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene (PubChem CID 88576082) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
PubChem CID88576082
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
SMILESCC(C)=CC(OCC(F)(F)F)=C(C)C
InChIInChI=1S/C10H15F3O/c1-7(2)5-9(8(3)4)14-6-10(11,12)13/h5H,6H2,1-4H3
InChIKeyUBBPCAAZOJFUFC-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene?
The IUPAC name of 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene (CID 88576082) is 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene.
What is the SMILES notation for 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene?
The canonical SMILES for 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene is CC(C)=CC(OCC(F)(F)F)=C(C)C.
What is the InChIKey of 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene?
The InChIKey is UBBPCAAZOJFUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-7(2)5-9(8(3)4)14-6-10(11,12)13/h5H,6H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene?
2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene has a molecular weight of 208.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene is sourced from PubChem (CID 88576082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).