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

C7H9F3O3 — CID 57277884

IUPAC2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC(F)(F)F)C1C(=O)O
InChIInChI=1S/C7H9F3O3/c1-6(2)3(5(11)12)4(6)13-7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyCPHPOXUQUXXRIR-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.63
Rot. Bonds2

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

2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid (PubChem CID 57277884) has the molecular formula C7H9F3O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
PubChem CID57277884
Molecular FormulaC7H9F3O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Name2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid
SMILESCC1(C)C(OC(F)(F)F)C1C(=O)O
InChIInChI=1S/C7H9F3O3/c1-6(2)3(5(11)12)4(6)13-7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyCPHPOXUQUXXRIR-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid (CID 57277884) is 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid is CC1(C)C(OC(F)(F)F)C1C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
The InChIKey is CPHPOXUQUXXRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O3/c1-6(2)3(5(11)12)4(6)13-7(8,9)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid has a molecular weight of 198.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(trifluoromethoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57277884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).