1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene

C10H11F3O — CID 163417386

IUPAC1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=C(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C10H11F3O/c1-7-6-8(10(11,12)13)4-3-5-9(7)14-2/h3-4,6H,5H2,1-2H3
InChIKeyAFPAKYPQDGRZJL-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.36
Rot. Bonds1

About 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene

1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 163417386) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID163417386
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCOC1=C(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C10H11F3O/c1-7-6-8(10(11,12)13)4-3-5-9(7)14-2/h3-4,6H,5H2,1-2H3
InChIKeyAFPAKYPQDGRZJL-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene 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

3,6-Bis(trifluoromethyl)oxepine
CID 134915403
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
1-Methoxy-6-(trifluoromethyl)cyclohexa-1,4-diene
CID 53942069
8-(Fluoromethoxy)-2,4-dimethyldeca-2,5,7-triene
CID 90998043
2-Methyl-4-(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 91122464
(3Z)-5,5,5-trifluoro-4-methoxy-2-(trifluoromethyl)penta-1,3-diene
CID 117746329
2-Methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
2-Methoxy-4-(trifluoromethyl)hexa-2,4-diene
CID 123181980
3-(Difluoromethoxy)-4-methylhexa-1,3-diene
CID 123343799
4-Methoxy-2-(trifluoromethyl)hexa-1,3,5-triene
CID 123436173
3-Methyl-6-(trifluoromethoxy)hepta-1,3,5-triene
CID 123469094

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 163417386) is 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene is COC1=C(C)C=C(C(F)(F)F)C=CC1.
What is the InChIKey of 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is AFPAKYPQDGRZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-7-6-8(10(11,12)13)4-3-5-9(7)14-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 204.19 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 163417386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).