1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H16F3NO3 — CID 82719109

IUPAC1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-7-8(2-5-18-7)15-4-3-10(6-15,9(16)17)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyXLRNIFAKVGDYIC-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.50
Rot. Bonds2

About 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 82719109) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID82719109
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1OCCC1N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-7-8(2-5-18-7)15-4-3-10(6-15,9(16)17)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyXLRNIFAKVGDYIC-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 82719109) is 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC1OCCC1N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XLRNIFAKVGDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7-8(2-5-18-7)15-4-3-10(6-15,9(16)17)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82719109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).