5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene

C11H15F3 — CID 59623653

IUPAC5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1(C)C=CC=C(C(F)(F)F)C1(C)C
InChIInChI=1S/C11H15F3/c1-9(2)7-5-6-8(10(9,3)4)11(12,13)14/h5-7H,1-4H3
InChIKeySFORKJXICCJZRY-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.10
Rot. Bonds

About 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene

5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 59623653) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID59623653
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC1(C)C=CC=C(C(F)(F)F)C1(C)C
InChIInChI=1S/C11H15F3/c1-9(2)7-5-6-8(10(9,3)4)11(12,13)14/h5-7H,1-4H3
InChIKeySFORKJXICCJZRY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
2,6-Di-t-butylcyclohexa-diene
CID 13800977
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
p-Di-t-butyldihydrobenzene
CID 129805516
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 19020210
5-Ethenyl-5-methyl-1-(3,4,4-trifluorobut-3-enyl)cyclohexa-1,3-diene
CID 19994176
3-Tert-butyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 20526794
5-Methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 21560033
5-Ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene
CID 22136450
2-(2-Cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
1,2,3,5-Tetramethyl-5-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene
CID 54318301
1-(3,3-Dimethylpent-1-enyl)-5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 54411024

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 59623653) is 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene is CC1(C)C=CC=C(C(F)(F)F)C1(C)C.
What is the InChIKey of 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is SFORKJXICCJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c1-9(2)7-5-6-8(10(9,3)4)11(12,13)14/h5-7H,1-4H3.
What are the key properties of 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 204.23 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetramethyl-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 59623653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).