2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol

C11H15F3O — CID 11106875

IUPAC2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(C)CC1(O)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-8-5-4-6-9(2,3)7-10(8,15)11(12,13)14/h4-6,15H,7H2,1-3H3
InChIKeyUQCREHQHYIYVES-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.21
Rot. Bonds

About 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol

2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol (PubChem CID 11106875) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol
PubChem CID11106875
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(C)CC1(O)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-8-5-4-6-9(2,3)7-10(8,15)11(12,13)14/h4-6,15H,7H2,1-3H3
InChIKeyUQCREHQHYIYVES-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol?
The IUPAC name of 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol (CID 11106875) is 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol?
The canonical SMILES for 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol is CC1=CC=CC(C)(C)CC1(O)C(F)(F)F.
What is the InChIKey of 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol?
The InChIKey is UQCREHQHYIYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8-5-4-6-9(2,3)7-10(8,15)11(12,13)14/h4-6,15H,7H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol?
2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol has a molecular weight of 220.23 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol is sourced from PubChem (CID 11106875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).