1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C7H11ClF3NO2 — CID 91647567

IUPAC1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-11-2-1-5(3-11)6(12)13;/h5H,1-4H2,(H,12,13);1H
InChIKeyJDSAGUXAENKKHC-UHFFFAOYSA-N
MW233.62 g/mol
LogP1.38
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride

1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 91647567) has the molecular formula C7H11ClF3NO2 and a molecular weight of 233.62 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID91647567
Molecular FormulaC7H11ClF3NO2
Molecular Weight233.62 g/mol
Exact Mass233.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-11-2-1-5(3-11)6(12)13;/h5H,1-4H2,(H,12,13);1H
InChIKeyJDSAGUXAENKKHC-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 91647567) is 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is JDSAGUXAENKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-11-2-1-5(3-11)6(12)13;/h5H,1-4H2,(H,12,13);1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 233.62 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 91647567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).