(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene

C9H13F3O — CID 88768218

IUPAC(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCCO/C(=C\C=C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-4-13-8(9(10,11)12)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-
InChIKeyIZAURKCGGNNMGE-VURMDHGXSA-N
MW194.20 g/mol
LogP3.44
Rot. Bonds3

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

(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene (PubChem CID 88768218) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene
PubChem CID88768218
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCCO/C(=C\C=C(C)C)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-4-13-8(9(10,11)12)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-
InChIKeyIZAURKCGGNNMGE-VURMDHGXSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.44
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 (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-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 (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The IUPAC name of (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene (CID 88768218) is (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The canonical SMILES for (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene is CCO/C(=C\C=C(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The InChIKey is IZAURKCGGNNMGE-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13F3O/c1-4-13-8(9(10,11)12)6-5-7(2)3/h5-6H,4H2,1-3H3/b8-6-.
What are the key properties of (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene?
(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene has a molecular weight of 194.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 88768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).