1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide

C7H11F2N3O2 — CID 131015215

IUPAC1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide
SMILESCC(=O)N1CC(F)(F)CC1C(=O)NN
InChIInChI=1S/C7H11F2N3O2/c1-4(13)12-3-7(8,9)2-5(12)6(14)11-10/h5H,2-3,10H2,1H3,(H,11,14)
InChIKeyVZFQNPPLZGLMOB-UHFFFAOYSA-N
MW207.18 g/mol
LogP-0.77
Rot. Bonds1

About 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide

1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide (PubChem CID 131015215) has the molecular formula C7H11F2N3O2 and a molecular weight of 207.18 g/mol. Its IUPAC name is 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide
PubChem CID131015215
Molecular FormulaC7H11F2N3O2
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Name1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide
SMILESCC(=O)N1CC(F)(F)CC1C(=O)NN
InChIInChI=1S/C7H11F2N3O2/c1-4(13)12-3-7(8,9)2-5(12)6(14)11-10/h5H,2-3,10H2,1H3,(H,11,14)
InChIKeyVZFQNPPLZGLMOB-UHFFFAOYSA-N
XLogP-0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-0.77
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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide?
The IUPAC name of 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide (CID 131015215) is 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide is CC(=O)N1CC(F)(F)CC1C(=O)NN.
What is the InChIKey of 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide?
The InChIKey is VZFQNPPLZGLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2/c1-4(13)12-3-7(8,9)2-5(12)6(14)11-10/h5H,2-3,10H2,1H3,(H,11,14).
What are the key properties of 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide?
1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide has a molecular weight of 207.18 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4,4-difluoropyrrolidine-2-carbohydrazide is sourced from PubChem (CID 131015215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).