1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide

C7H10F3N3O2 — CID 82275211

IUPAC1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-3-1-2-4(13)5(14)12-11/h4H,1-3,11H2,(H,12,14)
InChIKeyQOYNXINTUGAUDW-UHFFFAOYSA-N
MW225.17 g/mol
LogP-0.47
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide (PubChem CID 82275211) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide
PubChem CID82275211
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide
SMILESNNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-3-1-2-4(13)5(14)12-11/h4H,1-3,11H2,(H,12,14)
InChIKeyQOYNXINTUGAUDW-UHFFFAOYSA-N
XLogP-0.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Oxo-DL-prolinohydrazide
CID 102523
(2S)-5-oxopyrrolidine-2-carbohydrazide
CID 7297387
1-(Trifluoroacetyl)prolinamide
CID 22791901
2-[2-Oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 15288966
1-(2,2,2-Trifluoroacetyl)pyrrolidine-2-carboxamide
CID 21984901
1-(3,3,3-Trifluoropropanoyl)pyrrolidine-2-carboxamide
CID 71236345
(2S)-4,4-difluoro-1-formylpyrrolidine-2-carboxamide
CID 89087711
(2S,4S)-4-fluoro-1-methylpyrrolidine-2-carbohydrazide
CID 90180617
(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide
CID 90180646
(2S,4R)-4-fluoro-2-[(5,5,5-trifluoropentanoylamino)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126624135
1-(2,2,2-Trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
2-[(2-fluoroacetyl)-[[(2S)-pyrrolidine-2-carbonyl]amino]amino]acetamide
CID 167443226

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide (CID 82275211) is 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide is NNC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide?
The InChIKey is QOYNXINTUGAUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)13-3-1-2-4(13)5(14)12-11/h4H,1-3,11H2,(H,12,14).
What are the key properties of 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide?
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide has a molecular weight of 225.17 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 82275211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).