(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene

C9H13F3O — CID 144630019

IUPAC(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
SMILESC/C=C(\C=C(/C)OC(F)(F)F)CC
InChIInChI=1S/C9H13F3O/c1-4-8(5-2)6-7(3)13-9(10,11)12/h4,6H,5H2,1-3H3/b7-6+,8-4-
InChIKeyHRZHHGYZRLXTEM-SDMAFULYSA-N
MW194.20 g/mol
LogP3.78
Rot. Bonds3

About (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene

(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene (PubChem CID 144630019) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
PubChem CID144630019
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
SMILESC/C=C(\C=C(/C)OC(F)(F)F)CC
InChIInChI=1S/C9H13F3O/c1-4-8(5-2)6-7(3)13-9(10,11)12/h4,6H,5H2,1-3H3/b7-6+,8-4-
InChIKeyHRZHHGYZRLXTEM-SDMAFULYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.78
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

(2E,4Z)-5-methyl-2-(trifluoromethoxy)hepta-2,4-diene
CID 154026455
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
2-(trifluoromethoxy)but-1-ene
CID 90210903
ethene;(2Z,4Z)-3-ethyl-7,7,7-trifluorohepta-2,4-diene
CID 142112959
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
5-ethyl-3-(methoxymethyl)hepta-2,4-diene
CID 123423064
(3Z,5E)-2-fluoro-3-methyl-5-(trifluoromethoxy)hepta-1,3,5-triene
CID 135268108
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
ethane;2-methylpent-1-ene;prop-1-yne;(E)-2-(trifluoromethoxy)pent-2-ene
CID 143343003
(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
CID 166909191
tert-butyl acetate;ethane;(Z)-2-ethyl-N-methylbut-2-en-1-imine
CID 145026020

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene?
The IUPAC name of (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene (CID 144630019) is (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene?
The canonical SMILES for (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene is C/C=C(\C=C(/C)OC(F)(F)F)CC.
What is the InChIKey of (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene?
The InChIKey is HRZHHGYZRLXTEM-SDMAFULYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-4-8(5-2)6-7(3)13-9(10,11)12/h4,6H,5H2,1-3H3/b7-6+,8-4-.
What are the key properties of (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene?
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene has a molecular weight of 194.20 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene is sourced from PubChem (CID 144630019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).