4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene

C11H19F3O — CID 123447482

IUPAC4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
SMILESCCCC(C)C(C)C=C(C)OC(F)(F)F
InChIInChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeySCERMGMHPRWWJG-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.50
Rot. Bonds5

About 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene

4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene (PubChem CID 123447482) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
PubChem CID123447482
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
SMILESCCCC(C)C(C)C=C(C)OC(F)(F)F
InChIInChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeySCERMGMHPRWWJG-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
2-(2-Fluoroethoxy)-4,5-dimethylhept-2-ene
CID 123729444
(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene
CID 143346376
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
4-Methyl-1-(trifluoromethoxy)cyclohexene
CID 149544809
(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
CID 155470349
(4S)-4-methyl-1-(trifluoromethoxy)cyclohexene
CID 164163696
(E)-4,5-dimethyl-2-(trifluoromethoxy)hex-2-ene
CID 169861715
[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
CID 143346331
5-Methyl-1-(trifluoromethoxy)cyclohexene
CID 162560258
7-Ethyl-6-propan-2-yl-2-(trifluoromethoxy)cycloocta-1,4-diene
CID 162592379

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene (CID 123447482) is 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene is CCCC(C)C(C)C=C(C)OC(F)(F)F.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The InChIKey is SCERMGMHPRWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene has a molecular weight of 224.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene is sourced from PubChem (CID 123447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).