N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C8H12ClF3N2O — CID 154923836

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCN(CC(F)(F)F)C(=O)C1C=CCN1.Cl
InChIInChI=1S/C8H11F3N2O.ClH/c1-13(5-8(9,10)11)7(14)6-3-2-4-12-6;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyHMIOVGYIKWWQTH-UHFFFAOYSA-N
MW244.64 g/mol
LogP0.96
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154923836) has the molecular formula C8H12ClF3N2O and a molecular weight of 244.64 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154923836
Molecular FormulaC8H12ClF3N2O
Molecular Weight244.64 g/mol
Exact Mass244.06
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCN(CC(F)(F)F)C(=O)C1C=CCN1.Cl
InChIInChI=1S/C8H11F3N2O.ClH/c1-13(5-8(9,10)11)7(14)6-3-2-4-12-6;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyHMIOVGYIKWWQTH-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154923836) is N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is CN(CC(F)(F)F)C(=O)C1C=CCN1.Cl.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is HMIOVGYIKWWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O.ClH/c1-13(5-8(9,10)11)7(14)6-3-2-4-12-6;/h2-3,6,12H,4-5H2,1H3;1H.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 244.64 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154923836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).