1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride

C7H11Cl2F3N2O2 — CID 142656009

IUPAC1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2.2ClH/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13;;/h4H,1-3H2,(H2,11,13);2*1H
InChIKeyQCKZIQVZFVPGNA-UHFFFAOYSA-N
MW283.08 g/mol
LogP0.87
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 142656009) has the molecular formula C7H11Cl2F3N2O2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID142656009
Molecular FormulaC7H11Cl2F3N2O2
Molecular Weight283.08 g/mol
Exact Mass282.01
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2.2ClH/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13;;/h4H,1-3H2,(H2,11,13);2*1H
InChIKeyQCKZIQVZFVPGNA-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
CID 103733524
(2S)-1-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 110867508
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110867880
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 142656009) is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is QCKZIQVZFVPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2.2ClH/c8-7(9,10)6(14)12-3-1-2-4(12)5(11)13;;/h4H,1-3H2,(H2,11,13);2*1H.
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride?
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 283.08 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 142656009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).