2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide

C8H15F2N3O — CID 165463827

IUPAC2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide
SMILESCC1CCN(CC(F)(F)C(=O)NN)C1
InChIInChI=1S/C8H15F2N3O/c1-6-2-3-13(4-6)5-8(9,10)7(14)12-11/h6H,2-5,11H2,1H3,(H,12,14)
InChIKeyHVVSTZMNGHADDO-UHFFFAOYSA-N
MW207.22 g/mol
LogP-0.05
Rot. Bonds3

About 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide

2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide (PubChem CID 165463827) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide
PubChem CID165463827
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide
SMILESCC1CCN(CC(F)(F)C(=O)NN)C1
InChIInChI=1S/C8H15F2N3O/c1-6-2-3-13(4-6)5-8(9,10)7(14)12-11/h6H,2-5,11H2,1H3,(H,12,14)
InChIKeyHVVSTZMNGHADDO-UHFFFAOYSA-N
XLogP-0.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 5-0.05
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 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide?
The IUPAC name of 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide (CID 165463827) is 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide is CC1CCN(CC(F)(F)C(=O)NN)C1.
What is the InChIKey of 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide?
The InChIKey is HVVSTZMNGHADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c1-6-2-3-13(4-6)5-8(9,10)7(14)12-11/h6H,2-5,11H2,1H3,(H,12,14).
What are the key properties of 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide?
2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide has a molecular weight of 207.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-methylpyrrolidin-1-yl)propanehydrazide is sourced from PubChem (CID 165463827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).