1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene

C9H11F3O — CID 142222480

IUPAC1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1=CC=C(OC(F)(F)F)C(C)C1
InChIInChI=1S/C9H11F3O/c1-6-3-4-8(7(2)5-6)13-9(10,11)12/h3-4,7H,5H2,1-2H3
InChIKeyFEHNPJSXNCKWFW-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.39
Rot. Bonds1

About 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene

1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 142222480) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID142222480
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1=CC=C(OC(F)(F)F)C(C)C1
InChIInChI=1S/C9H11F3O/c1-6-3-4-8(7(2)5-6)13-9(10,11)12/h3-4,7H,5H2,1-2H3
InChIKeyFEHNPJSXNCKWFW-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,5-dimethyl-4-(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
2-Chloro-4-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137236
1-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
(5S)-5-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68330515
(6S)-6-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68348284
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 71070317

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene (CID 142222480) is 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene is CC1=CC=C(OC(F)(F)F)C(C)C1.
What is the InChIKey of 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is FEHNPJSXNCKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-6-3-4-8(7(2)5-6)13-9(10,11)12/h3-4,7H,5H2,1-2H3.
What are the key properties of 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene?
1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 192.18 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 142222480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).