(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene

C10H13F3O — CID 143342368

IUPAC(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC/C=C(\C=C/C=C/OC(F)(F)F)CC
InChIInChI=1S/C10H13F3O/c1-3-9(4-2)7-5-6-8-14-10(11,12)13/h3,5-8H,4H2,1-2H3/b7-5-,8-6+,9-3-
InChIKeyPEQRBPWDZCWHMP-LXBFSBNQSA-N
MW206.21 g/mol
LogP3.95
Rot. Bonds4

About (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene

(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 143342368) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID143342368
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC/C=C(\C=C/C=C/OC(F)(F)F)CC
InChIInChI=1S/C10H13F3O/c1-3-9(4-2)7-5-6-8-14-10(11,12)13/h3,5-8H,4H2,1-2H3/b7-5-,8-6+,9-3-
InChIKeyPEQRBPWDZCWHMP-LXBFSBNQSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.95
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 (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene (CID 143342368) is (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene is C/C=C(\C=C/C=C/OC(F)(F)F)CC.
What is the InChIKey of (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
The InChIKey is PEQRBPWDZCWHMP-LXBFSBNQSA-N. The full InChI is InChI=1S/C10H13F3O/c1-3-9(4-2)7-5-6-8-14-10(11,12)13/h3,5-8H,4H2,1-2H3/b7-5-,8-6+,9-3-.
What are the key properties of (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene?
(1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 206.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-5-ethyl-1-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 143342368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).