2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene

C15H23F3O — CID 91235536

IUPAC2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
SMILESC=C(C)C(C)CCC=C(CC=CC)OCC(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-6-9-14(19-11-15(16,17)18)10-7-8-13(4)12(2)3/h5-6,10,13H,2,7-9,11H2,1,3-4H3
InChIKeyLYPIYMCNINUTGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP5.41
Rot. Bonds8

About 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene

2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene (PubChem CID 91235536) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene.

Molecular Properties

Compound Name2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
PubChem CID91235536
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
SMILESC=C(C)C(C)CCC=C(CC=CC)OCC(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-6-9-14(19-11-15(16,17)18)10-7-8-13(4)12(2)3/h5-6,10,13H,2,7-9,11H2,1,3-4H3
InChIKeyLYPIYMCNINUTGQ-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 58275581
(E)-2,2-difluoro-9-methyl-1-propan-2-yloxydec-3-ene
CID 58275582
2,2-Difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
CID 76738465
2,2-Difluoro-9-methyl-1-propan-2-yloxydec-3-ene
CID 76738466
2-(1,1-Difluoroethyl)-3,5-dimethyl-2,3-dihydrofuran
CID 89075927
1-(2,2-Difluoropropoxy)-4-ethyl-5-methylhepta-1,3-diene
CID 90932075
(E)-1-ethoxy-2,2-difluoro-7-methyloct-3-ene
CID 118527058
(E)-1-ethoxy-2,2-difluoro-9-methyldec-3-ene
CID 118527061
4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482
2-(2-Fluoroethoxy)-4,5-dimethylhept-2-ene
CID 123729444
1-(Difluoromethoxy)-5-(2-methylpropyl)cyclohepta-1,3,5-triene
CID 143345609

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene?
The IUPAC name of 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene (CID 91235536) is 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene.
What is the SMILES notation for 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene?
The canonical SMILES for 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene is C=C(C)C(C)CCC=C(CC=CC)OCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene?
The InChIKey is LYPIYMCNINUTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-5-6-9-14(19-11-15(16,17)18)10-7-8-13(4)12(2)3/h5-6,10,13H,2,7-9,11H2,1,3-4H3.
What are the key properties of 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene?
2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene has a molecular weight of 276.34 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene is sourced from PubChem (CID 91235536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).