(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene

C11H15F3O — CID 143596409

IUPAC(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene
SMILESC=C(/C=C\C(=C/C)CCC)OC(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3/b8-7-,10-5-
InChIKeyYQKRCPIRBDXGRE-JCPYGFQFSA-N
MW220.23 g/mol
LogP4.34
Rot. Bonds5

About (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene

(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene (PubChem CID 143596409) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene
PubChem CID143596409
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene
SMILESC=C(/C=C\C(=C/C)CCC)OC(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3/b8-7-,10-5-
InChIKeyYQKRCPIRBDXGRE-JCPYGFQFSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 54.34
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-Fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 163655268
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68305761
(5R)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70216832
(6S)-6-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70326594
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
6-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 77824159

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene?
The IUPAC name of (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene (CID 143596409) is (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene.
What is the SMILES notation for (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene?
The canonical SMILES for (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene is C=C(/C=C\C(=C/C)CCC)OC(F)(F)F.
What is the InChIKey of (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene?
The InChIKey is YQKRCPIRBDXGRE-JCPYGFQFSA-N. The full InChI is InChI=1S/C11H15F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3/b8-7-,10-5-.
What are the key properties of (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene?
(3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene has a molecular weight of 220.23 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethylidene-2-(trifluoromethoxy)octa-1,3-diene is sourced from PubChem (CID 143596409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).