5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene

C10H13F3O — CID 146996971

IUPAC5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C1=CC=CC(C)C1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7-4-3-5-8(6-7)9(14-2)10(11,12)13/h3-5,7,9H,6H2,1-2H3
InChIKeyARGZIYPPJUQDBP-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.09
Rot. Bonds2

About 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene

5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 146996971) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
PubChem CID146996971
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C1=CC=CC(C)C1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7-4-3-5-8(6-7)9(14-2)10(11,12)13/h3-5,7,9H,6H2,1-2H3
InChIKeyARGZIYPPJUQDBP-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene (CID 146996971) is 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene is COC(C1=CC=CC(C)C1)C(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is ARGZIYPPJUQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7-4-3-5-8(6-7)9(14-2)10(11,12)13/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene?
5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 206.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 146996971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).