1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C9H14F3NO3 — CID 63708195

IUPAC1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCOCCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-16-5-4-13-3-2-8(6-13,7(14)15)9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyPWCHKCBMMOXJRB-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.97
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708195) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708195
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCOCCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO3/c1-16-5-4-13-3-2-8(6-13,7(14)15)9(10,11)12/h2-6H2,1H3,(H,14,15)
InChIKeyPWCHKCBMMOXJRB-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708195) is 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is COCCN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PWCHKCBMMOXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-16-5-4-13-3-2-8(6-13,7(14)15)9(10,11)12/h2-6H2,1H3,(H,14,15).
What are the key properties of 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).