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

C8H14ClF3N2O — CID 119726405

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(F)(F)F)CCNC1.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H
InChIKeyPLXVYLXHDACDJJ-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.09
Rot. Bonds2

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

3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119726405) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119726405
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(F)(F)F)CCNC1.Cl
InChIInChI=1S/C8H13F3N2O.ClH/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H
InChIKeyPLXVYLXHDACDJJ-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 66185354
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129321060
2-ethyl-2-[[(3-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 113308641
2-[(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63143746
N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119755038
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
3-methyl-N-(2-methyl-2-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945555
N-(2-bromo-2,2-difluoroethyl)-3-methylazetidine-3-carboxamide
CID 130901596
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
3-methyl-N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186921
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119726405) is 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC(F)(F)F)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PLXVYLXHDACDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c1-7(2-3-12-4-7)6(14)13-5-8(9,10)11;/h12H,2-5H2,1H3,(H,13,14);1H.
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119726405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).