5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene

C11H15F3O — CID 142028479

IUPAC5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene
SMILESCC1(C)C=CC(OCCC(F)(F)F)=CC1
InChIInChI=1S/C11H15F3O/c1-10(2)5-3-9(4-6-10)15-8-7-11(12,13)14/h3-5H,6-8H2,1-2H3
InChIKeyUMFNPDKFABSKPT-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.83
Rot. Bonds3

About 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene

5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene (PubChem CID 142028479) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene
PubChem CID142028479
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene
SMILESCC1(C)C=CC(OCCC(F)(F)F)=CC1
InChIInChI=1S/C11H15F3O/c1-10(2)5-3-9(4-6-10)15-8-7-11(12,13)14/h3-5H,6-8H2,1-2H3
InChIKeyUMFNPDKFABSKPT-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)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

t-Butylpyran
CID 59346845
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
2-Ethoxy-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 68261097
2-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 68261098
2-(Difluoromethoxy)-3-fluoro-5,5-dimethylcyclohexa-1,3-diene
CID 68261128
3-Fluoro-5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68261132
2-Ethoxy-3-fluoro-5,5-dimethylcyclohexa-1,3-diene
CID 68261565
(5S)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68305761
(5R)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70216832
5-Ethenyl-6,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 70273700
(6S)-6-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70326594

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene?
The IUPAC name of 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene (CID 142028479) is 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene?
The canonical SMILES for 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene is CC1(C)C=CC(OCCC(F)(F)F)=CC1.
What is the InChIKey of 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene?
The InChIKey is UMFNPDKFABSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-10(2)5-3-9(4-6-10)15-8-7-11(12,13)14/h3-5H,6-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene?
5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene has a molecular weight of 220.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(3,3,3-trifluoropropoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 142028479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).