N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C7H9F3N2O2 — CID 19956567

IUPACN-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)C(F)(F)F)C1CCCN1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-5(13)4-2-1-3-11-4/h4,11H,1-3H2,(H,12,13,14)
InChIKeyYTRSECRQMOWSMZ-UHFFFAOYSA-N
MW210.15 g/mol
LogP-0.06
Rot. Bonds1

About N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 19956567) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID19956567
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC NameN-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)C(F)(F)F)C1CCCN1
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-5(13)4-2-1-3-11-4/h4,11H,1-3H2,(H,12,13,14)
InChIKeyYTRSECRQMOWSMZ-UHFFFAOYSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
5-Oxopyrrolidine-2-carboxamide
CID 220461
(S)-5-Oxopyrrolidine-2-carboxamide
CID 444439
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
Prolinamide, D-
CID 447554
(S)-Pyrrolidine-2-carboxamide monohydrochloride
CID 12707183
Prolylglycinamide
CID 3013627
Pyrrolidine-2-carboxamide hydrochloride
CID 3016353
4,4-Difluoro-L-prolinamide hydrochloride
CID 45158909
2-Pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2S,4S)-
CID 45158917
(2R)-pyrrolidine-2-carboxamide hydrochloride
CID 46735192

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 19956567) is N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(NC(=O)C(F)(F)F)C1CCCN1.
What is the InChIKey of N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is YTRSECRQMOWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6(14)12-5(13)4-2-1-3-11-4/h4,11H,1-3H2,(H,12,13,14).
What are the key properties of N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 210.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 19956567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).