3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide

C8H15F2N3O — CID 130632039

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCC(F)(F)C1)C(=O)NN
InChIInChI=1S/C8H15F2N3O/c1-6(7(14)12-11)4-13-3-2-8(9,10)5-13/h6H,2-5,11H2,1H3,(H,12,14)
InChIKeyLMCLSVXAEAFQTF-UHFFFAOYSA-N
MW207.22 g/mol
LogP-0.05
Rot. Bonds3

About 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide

3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide (PubChem CID 130632039) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
PubChem CID130632039
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
SMILESCC(CN1CCC(F)(F)C1)C(=O)NN
InChIInChI=1S/C8H15F2N3O/c1-6(7(14)12-11)4-13-3-2-8(9,10)5-13/h6H,2-5,11H2,1H3,(H,12,14)
InChIKeyLMCLSVXAEAFQTF-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 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide (CID 130632039) is 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide is CC(CN1CCC(F)(F)C1)C(=O)NN.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide?
The InChIKey is LMCLSVXAEAFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c1-6(7(14)12-11)4-13-3-2-8(9,10)5-13/h6H,2-5,11H2,1H3,(H,12,14).
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide?
3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide 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 3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 130632039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).