(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene

C10H15F3O — CID 155470349

IUPAC(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
SMILESC=CC(CC/C=C(\C)OC)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-9(10(11,12)13)7-5-6-8(2)14-3/h4,6,9H,1,5,7H2,2-3H3/b8-6+
InChIKeyTWWXXYUXDJIFQJ-SOFGYWHQSA-N
MW208.22 g/mol
LogP3.68
Rot. Bonds5

About (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene

(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene (PubChem CID 155470349) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene.

Molecular Properties

Compound Name(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
PubChem CID155470349
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
SMILESC=CC(CC/C=C(\C)OC)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-9(10(11,12)13)7-5-6-8(2)14-3/h4,6,9H,1,5,7H2,2-3H3/b8-6+
InChIKeyTWWXXYUXDJIFQJ-SOFGYWHQSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene?
The IUPAC name of (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene (CID 155470349) is (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene.
What is the SMILES notation for (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene?
The canonical SMILES for (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene is C=CC(CC/C=C(\C)OC)C(F)(F)F.
What is the InChIKey of (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene?
The InChIKey is TWWXXYUXDJIFQJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-9(10(11,12)13)7-5-6-8(2)14-3/h4,6,9H,1,5,7H2,2-3H3/b8-6+.
What are the key properties of (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene?
(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene has a molecular weight of 208.22 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene is sourced from PubChem (CID 155470349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).