N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C7H12ClF3N2O — CID 67294114

IUPACN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyZYWBNTIOVKGLSG-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.70
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 67294114) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID67294114
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC NameN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyZYWBNTIOVKGLSG-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 67294114) is N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZYWBNTIOVKGLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h5,11H,1-4H2,(H,12,13);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67294114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).