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

C8H11F3O — CID 20564399

IUPAC(2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene
SMILESCO/C(=C\C=C(C)C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5H,1-3H3/b7-5-
InChIKeyWPMAVFOVHKZZEH-ALCCZGGFSA-N
MW180.17 g/mol
LogP3.05
Rot. Bonds2

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

(2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene (PubChem CID 20564399) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene
PubChem CID20564399
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene
SMILESCO/C(=C\C=C(C)C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5H,1-3H3/b7-5-
InChIKeyWPMAVFOVHKZZEH-ALCCZGGFSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.05
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'}

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Related Compounds

1,1,1-Trifluoro-5-methyl-2-propan-2-yloxyhexa-2,4-diene
CID 53650761
1,1,1-Trifluoro-2-ethoxy-5-methyl-2,4-hexadiene
CID 53942861
1,1,1-Trifluoro-2-methoxy-5-methylhexa-2,4-diene
CID 54443002
1,1,1-Trifluoro-5-methyl-2-propoxyhexa-2,4-diene
CID 54524845
(1E)-1-ethoxy-1-fluoro-4-methylpenta-1,3-diene
CID 87088575
1-Ethoxy-1-fluoro-4-methylpenta-1,3-diene
CID 87088576
(1E)-1-fluoro-1-methoxy-4-methylpenta-1,3-diene
CID 87088584
1-Fluoro-1-methoxy-4-methylpenta-1,3-diene
CID 87088585
(1E)-1-fluoro-4-methyl-1-propoxypenta-1,3-diene
CID 87088611
1-Fluoro-4-methyl-1-propoxypenta-1,3-diene
CID 87088612
(2Z)-2-ethoxy-1,1,1-trifluoro-5-methylhexa-2,4-diene
CID 88768218
(3Z,5E)-6-(trifluoromethoxy)hepta-1,3,5-triene
CID 117972255

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene?
The IUPAC name of (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene (CID 20564399) is (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene?
The canonical SMILES for (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene is CO/C(=C\C=C(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene?
The InChIKey is WPMAVFOVHKZZEH-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11F3O/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5H,1-3H3/b7-5-.
What are the key properties of (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene?
(2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene has a molecular weight of 180.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-2-methoxy-5-methylhexa-2,4-diene is sourced from PubChem (CID 20564399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).