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

C10H13F3O — CID 144927287

IUPAC(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)OCC(F)(F)F
InChIInChI=1S/C10H13F3O/c1-4-9(6-5-8(2)3)14-7-10(11,12)13/h4-6H,2,7H2,1,3H3/b6-5-,9-4+
InChIKeyZZEUIKOHLPQXPA-CXBDEZGUSA-N
MW206.21 g/mol
LogP3.60
Rot. Bonds4

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

(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene (PubChem CID 144927287) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
PubChem CID144927287
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
SMILESC=C(C)/C=C\C(=C/C)OCC(F)(F)F
InChIInChI=1S/C10H13F3O/c1-4-9(6-5-8(2)3)14-7-10(11,12)13/h4-6H,2,7H2,1,3H3/b6-5-,9-4+
InChIKeyZZEUIKOHLPQXPA-CXBDEZGUSA-N
XLogP3.60
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 ≤ 53.60
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 (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene (CID 144927287) is (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene is C=C(C)/C=C\C(=C/C)OCC(F)(F)F.
What is the InChIKey of (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
The InChIKey is ZZEUIKOHLPQXPA-CXBDEZGUSA-N. The full InChI is InChI=1S/C10H13F3O/c1-4-9(6-5-8(2)3)14-7-10(11,12)13/h4-6H,2,7H2,1,3H3/b6-5-,9-4+.
What are the key properties of (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene?
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene has a molecular weight of 206.21 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 144927287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).