(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene

C14H15F3O — CID 71122739

IUPAC(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC=c1cc(C(F)(F)F)cc/c1=C(/C=C\C)OC
InChIInChI=1S/C14H15F3O/c1-4-6-13(18-3)12-8-7-11(14(15,16)17)9-10(12)5-2/h4-9H,1-3H3/b6-4-,10-5?,13-12+
InChIKeyIIXKVPBJPRNAGA-DFZNVZJTSA-N
MW256.27 g/mol
LogP2.84
Rot. Bonds2

About (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene

(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 71122739) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID71122739
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC=c1cc(C(F)(F)F)cc/c1=C(/C=C\C)OC
InChIInChI=1S/C14H15F3O/c1-4-6-13(18-3)12-8-7-11(14(15,16)17)9-10(12)5-2/h4-9H,1-3H3/b6-4-,10-5?,13-12+
InChIKeyIIXKVPBJPRNAGA-DFZNVZJTSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 71122739) is (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene is CC=c1cc(C(F)(F)F)cc/c1=C(/C=C\C)OC.
What is the InChIKey of (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is IIXKVPBJPRNAGA-DFZNVZJTSA-N. The full InChI is InChI=1S/C14H15F3O/c1-4-6-13(18-3)12-8-7-11(14(15,16)17)9-10(12)5-2/h4-9H,1-3H3/b6-4-,10-5?,13-12+.
What are the key properties of (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene?
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 256.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 71122739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).