1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid

C7H9F3O3 — CID 79425421

IUPAC1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCOC(F)(F)F)CC1
InChIInChI=1S/C7H9F3O3/c8-7(9,10)13-4-3-6(1-2-6)5(11)12/h1-4H2,(H,11,12)
InChIKeyUZWXRNXNXPUXRS-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid

1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 79425421) has the molecular formula C7H9F3O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid
PubChem CID79425421
Molecular FormulaC7H9F3O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Name1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCOC(F)(F)F)CC1
InChIInChI=1S/C7H9F3O3/c8-7(9,10)13-4-3-6(1-2-6)5(11)12/h1-4H2,(H,11,12)
InChIKeyUZWXRNXNXPUXRS-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid (CID 79425421) is 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CCOC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is UZWXRNXNXPUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O3/c8-7(9,10)13-4-3-6(1-2-6)5(11)12/h1-4H2,(H,11,12).
What are the key properties of 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid?
1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 198.14 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79425421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).