1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C7H11F3N2O2 — CID 178057293

IUPAC1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])ON1CC(C(F)(F)F)CC1C(N)=O
InChIInChI=1S/C7H11F3N2O2/c1-14-12-3-4(7(8,9)10)2-5(12)6(11)13/h4-5H,2-3H2,1H3,(H2,11,13)/i1D3
InChIKeyUZBWBRPPRLGMBQ-FIBGUPNXSA-N
MW215.19 g/mol
LogP0.29
Rot. Bonds3

About 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 178057293) has the molecular formula C7H11F3N2O2 and a molecular weight of 215.19 g/mol. Its IUPAC name is 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID178057293
Molecular FormulaC7H11F3N2O2
Molecular Weight215.19 g/mol
Exact Mass215.10
IUPAC Name1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])ON1CC(C(F)(F)F)CC1C(N)=O
InChIInChI=1S/C7H11F3N2O2/c1-14-12-3-4(7(8,9)10)2-5(12)6(11)13/h4-5H,2-3H2,1H3,(H2,11,13)/i1D3
InChIKeyUZBWBRPPRLGMBQ-FIBGUPNXSA-N
XLogP0.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 175883924
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
CID 145287462
ethane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 172626143
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750039
tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141407795
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11425669
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11129340
1-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 158452958
1-O-tert-butyl 3-O-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate
CID 135135275
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
1-ethoxyaziridine-2-carboxamide
CID 533738
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 178057293) is 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is [2H]C([2H])([2H])ON1CC(C(F)(F)F)CC1C(N)=O.
What is the InChIKey of 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is UZBWBRPPRLGMBQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-14-12-3-4(7(8,9)10)2-5(12)6(11)13/h4-5H,2-3H2,1H3,(H2,11,13)/i1D3.
What are the key properties of 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 215.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethoxy)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 178057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).