1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C7H10F3NO2 — CID 63708735

IUPAC1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-11-3-2-6(4-11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyYCYUVEPWNGWDMF-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.96
Rot. Bonds1

About 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708735) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708735
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-11-3-2-6(4-11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyYCYUVEPWNGWDMF-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708735) is 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YCYUVEPWNGWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-11-3-2-6(4-11,5(12)13)7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).