(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene

C10H12ClF3O — CID 143345542

IUPAC(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
SMILESC/C=C(C)\C=C(Cl)/C=C/OCC(F)(F)F
InChIInChI=1S/C10H12ClF3O/c1-3-8(2)6-9(11)4-5-15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-4+,8-3-,9-6+
InChIKeyQGQGZXORYHEYIW-BOKQGUPISA-N
MW240.65 g/mol
LogP4.17
Rot. Bonds4

About (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene

(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene (PubChem CID 143345542) has the molecular formula C10H12ClF3O and a molecular weight of 240.65 g/mol. Its IUPAC name is (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
PubChem CID143345542
Molecular FormulaC10H12ClF3O
Molecular Weight240.65 g/mol
Exact Mass240.05
IUPAC Name(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
SMILESC/C=C(C)\C=C(Cl)/C=C/OCC(F)(F)F
InChIInChI=1S/C10H12ClF3O/c1-3-8(2)6-9(11)4-5-15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-4+,8-3-,9-6+
InChIKeyQGQGZXORYHEYIW-BOKQGUPISA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 54.17
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,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The IUPAC name of (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene (CID 143345542) is (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The canonical SMILES for (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene is C/C=C(C)\C=C(Cl)/C=C/OCC(F)(F)F.
What is the InChIKey of (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The InChIKey is QGQGZXORYHEYIW-BOKQGUPISA-N. The full InChI is InChI=1S/C10H12ClF3O/c1-3-8(2)6-9(11)4-5-15-7-10(12,13)14/h3-6H,7H2,1-2H3/b5-4+,8-3-,9-6+.
What are the key properties of (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
(1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene has a molecular weight of 240.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-3-chloro-5-methyl-1-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 143345542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).