(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C8H13F3N2O — CID 175883924

IUPAC(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCN1CC(C(F)(F)F)C[C@H]1C(N)=O
InChIInChI=1S/C8H13F3N2O/c1-2-13-4-5(8(9,10)11)3-6(13)7(12)14/h5-6H,2-4H2,1H3,(H2,12,14)/t5?,6-/m0/s1
InChIKeyWLADEEODDHVTGN-GDVGLLTNSA-N
MW210.20 g/mol
LogP0.74
Rot. Bonds2

About (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide

(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 175883924) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID175883924
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCCN1CC(C(F)(F)F)C[C@H]1C(N)=O
InChIInChI=1S/C8H13F3N2O/c1-2-13-4-5(8(9,10)11)3-6(13)7(12)14/h5-6H,2-4H2,1H3,(H2,12,14)/t5?,6-/m0/s1
InChIKeyWLADEEODDHVTGN-GDVGLLTNSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 178057293
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
CID 145287462
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
(2S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 175883801
4-methyl-1-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 126789756
4-[(3-chloro-4-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 175784841
(2S)-1-(cyanomethyl)-4-methylpyrrolidine-2-carboxamide
CID 87903626
(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979840
ethane;1-[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]ethanone
CID 176567903
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 158452958
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 175883924) is (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide is CCN1CC(C(F)(F)F)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is WLADEEODDHVTGN-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13-4-5(8(9,10)11)3-6(13)7(12)14/h5-6H,2-4H2,1H3,(H2,12,14)/t5?,6-/m0/s1.
What are the key properties of (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175883924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).