6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene

C11H15F3O — CID 173055796

IUPAC6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)OC1(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C11H15F3O/c1-8(2)15-10(3)6-4-5-9(7-10)11(12,13)14/h4-5,7-8H,6H2,1-3H3
InChIKeyMLDSMWUMAOXLPJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.62
Rot. Bonds2

About 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene

6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 173055796) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID173055796
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)OC1(C)C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C11H15F3O/c1-8(2)15-10(3)6-4-5-9(7-10)11(12,13)14/h4-5,7-8H,6H2,1-3H3
InChIKeyMLDSMWUMAOXLPJ-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene (CID 173055796) is 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene is CC(C)OC1(C)C=C(C(F)(F)F)C=CC1.
What is the InChIKey of 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is MLDSMWUMAOXLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8(2)15-10(3)6-4-5-9(7-10)11(12,13)14/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene?
6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 220.23 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yloxy-2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173055796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).