1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide

C8H10F4N2O2 — CID 103733524

IUPAC1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-4(14)5(13)15/h4,6H,1-3H2,(H2,13,15)
InChIKeySDHPVYSCANUJRH-UHFFFAOYSA-N
MW242.17 g/mol
LogP0.36
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide

1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide (PubChem CID 103733524) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
PubChem CID103733524
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-4(14)5(13)15/h4,6H,1-3H2,(H2,13,15)
InChIKeySDHPVYSCANUJRH-UHFFFAOYSA-N
XLogP0.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
(2S)-1-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 110867508
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-(2-cyano-2-methylbutanoyl)pyrrolidine-2-carboxamide
CID 114291053
(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
CID 54033998
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide (CID 103733524) is 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is SDHPVYSCANUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-4(14)5(13)15/h4,6H,1-3H2,(H2,13,15).
What are the key properties of 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide?
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 242.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103733524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).