(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene

C11H17F3O — CID 138509505

IUPAC(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene
SMILESCO/C(C)=C/C(C)=C\C(C)(C)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-8(6-9(2)15-5)7-10(3,4)11(12,13)14/h6-7H,1-5H3/b8-7-,9-6+
InChIKeyDGBJBRLJIIKFGN-SOKJVCRVSA-N
MW222.25 g/mol
LogP4.07
Rot. Bonds3

About (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene

(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene (PubChem CID 138509505) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene
PubChem CID138509505
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene
SMILESCO/C(C)=C/C(C)=C\C(C)(C)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-8(6-9(2)15-5)7-10(3,4)11(12,13)14/h6-7H,1-5H3/b8-7-,9-6+
InChIKeyDGBJBRLJIIKFGN-SOKJVCRVSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene (CID 138509505) is (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene is CO/C(C)=C/C(C)=C\C(C)(C)C(F)(F)F.
What is the InChIKey of (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene?
The InChIKey is DGBJBRLJIIKFGN-SOKJVCRVSA-N. The full InChI is InChI=1S/C11H17F3O/c1-8(6-9(2)15-5)7-10(3,4)11(12,13)14/h6-7H,1-5H3/b8-7-,9-6+.
What are the key properties of (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene?
(2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene has a molecular weight of 222.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7,7,7-trifluoro-2-methoxy-4,6,6-trimethylhepta-2,4-diene is sourced from PubChem (CID 138509505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).