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

C9H11F3O — CID 154499411

IUPAC5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1(C)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O/c1-8(2)5-3-7(4-6-8)13-9(10,11)12/h3-5H,6H2,1-2H3
InChIKeyCDSXUWISNXMHLO-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.39
Rot. Bonds1

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

5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 154499411) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID154499411
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC1(C)C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O/c1-8(2)5-3-7(4-6-8)13-9(10,11)12/h3-5H,6H2,1-2H3
InChIKeyCDSXUWISNXMHLO-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

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Related Compounds

t-Butylpyran
CID 59346845
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
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
5-Methoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70023583
(5R)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70216832

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene (CID 154499411) is 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene is CC1(C)C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is CDSXUWISNXMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-8(2)5-3-7(4-6-8)13-9(10,11)12/h3-5H,6H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene?
5,5-dimethyl-2-(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 5,5-dimethyl-2-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 154499411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).