(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene

C8H11F3O2 — CID 138465035

IUPAC(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene
SMILESCOC/C=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-7(13-8(9,10)11)5-3-4-6-12-2/h3-5H,6H2,1-2H3/b4-3-,7-5+
InChIKeyRVHGPXQHLXLUDM-QVXLNCAUSA-N
MW196.17 g/mol
LogP2.63
Rot. Bonds4

About (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene

(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene (PubChem CID 138465035) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene
PubChem CID138465035
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene
SMILESCOC/C=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C8H11F3O2/c1-7(13-8(9,10)11)5-3-4-6-12-2/h3-5H,6H2,1-2H3/b4-3-,7-5+
InChIKeyRVHGPXQHLXLUDM-QVXLNCAUSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene?
The IUPAC name of (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene (CID 138465035) is (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene.
What is the SMILES notation for (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene?
The canonical SMILES for (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene is COC/C=C\C=C(/C)OC(F)(F)F.
What is the InChIKey of (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene?
The InChIKey is RVHGPXQHLXLUDM-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H11F3O2/c1-7(13-8(9,10)11)5-3-4-6-12-2/h3-5H,6H2,1-2H3/b4-3-,7-5+.
What are the key properties of (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene?
(2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene has a molecular weight of 196.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-methoxy-5-(trifluoromethoxy)hexa-2,4-diene is sourced from PubChem (CID 138465035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).