6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

C8H9F3O — CID 77487276

IUPAC6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1CC=CC=C1OC(F)(F)F
InChIInChI=1S/C8H9F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-3,5-6H,4H2,1H3
InChIKeyHUDJJXMTMKOZRN-UHFFFAOYSA-N
MW178.15 g/mol
LogP3.00
Rot. Bonds1

About 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene

6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 77487276) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID77487276
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1CC=CC=C1OC(F)(F)F
InChIInChI=1S/C8H9F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-3,5-6H,4H2,1H3
InChIKeyHUDJJXMTMKOZRN-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-1-(trifluoromethoxy)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

Related Compounds

1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954
1-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 21880618
1-Methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 53942068
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68305761
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
(5R)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70216832
3-Fluoro-1-methoxy-6-methylcyclohexa-1,3-diene
CID 70225784
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
5-Ethenyl-6,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 70273700

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 77487276) is 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is CC1CC=CC=C1OC(F)(F)F.
What is the InChIKey of 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is HUDJJXMTMKOZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene?
6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 178.15 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 77487276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).