1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C7H11ClF3NO2 — CID 122236427

IUPAC1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCN1CC(C(=O)O)C(C(F)(F)F)C1.Cl
InChIInChI=1S/C7H10F3NO2.ClH/c1-11-2-4(6(12)13)5(3-11)7(8,9)10;/h4-5H,2-3H2,1H3,(H,12,13);1H
InChIKeySGUTUAQFNYQGNB-UHFFFAOYSA-N
MW233.62 g/mol
LogP1.23
Rot. Bonds1

About 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 122236427) has the molecular formula C7H11ClF3NO2 and a molecular weight of 233.62 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID122236427
Molecular FormulaC7H11ClF3NO2
Molecular Weight233.62 g/mol
Exact Mass233.04
IUPAC Name1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCN1CC(C(=O)O)C(C(F)(F)F)C1.Cl
InChIInChI=1S/C7H10F3NO2.ClH/c1-11-2-4(6(12)13)5(3-11)7(8,9)10;/h4-5H,2-3H2,1H3,(H,12,13);1H
InChIKeySGUTUAQFNYQGNB-UHFFFAOYSA-N
XLogP1.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 122236427) is 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is CN1CC(C(=O)O)C(C(F)(F)F)C1.Cl.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is SGUTUAQFNYQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2.ClH/c1-11-2-4(6(12)13)5(3-11)7(8,9)10;/h4-5H,2-3H2,1H3,(H,12,13);1H.
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 233.62 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 122236427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).