5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C11H15F3O2 — CID 20593713

IUPAC5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1C2CC(C1C)C(C(=O)O)(C(F)(F)F)C2
InChIInChI=1S/C11H15F3O2/c1-5-6(2)8-3-7(5)4-10(8,9(15)16)11(12,13)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeySJZOEFGPXZMMNT-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.93
Rot. Bonds1

About 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 20593713) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID20593713
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1C2CC(C1C)C(C(=O)O)(C(F)(F)F)C2
InChIInChI=1S/C11H15F3O2/c1-5-6(2)8-3-7(5)4-10(8,9(15)16)11(12,13)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeySJZOEFGPXZMMNT-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 20593713) is 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is CC1C2CC(C1C)C(C(=O)O)(C(F)(F)F)C2.
What is the InChIKey of 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is SJZOEFGPXZMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-5-6(2)8-3-7(5)4-10(8,9(15)16)11(12,13)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 20593713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).