2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid

C8H11F3O3 — CID 57132163

IUPAC2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)OC(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-6(2)4(5(12)13)7(6,3)14-8(9,10)11/h4H,1-3H3,(H,12,13)
InChIKeyOBEDRLAVINWAKP-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.02
Rot. Bonds2

About 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid

2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid (PubChem CID 57132163) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
PubChem CID57132163
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)OC(F)(F)F
InChIInChI=1S/C8H11F3O3/c1-6(2)4(5(12)13)7(6,3)14-8(9,10)11/h4H,1-3H3,(H,12,13)
InChIKeyOBEDRLAVINWAKP-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid (CID 57132163) is 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(C)OC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The InChIKey is OBEDRLAVINWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c1-6(2)4(5(12)13)7(6,3)14-8(9,10)11/h4H,1-3H3,(H,12,13).
What are the key properties of 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid has a molecular weight of 212.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57132163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).