2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide

C8H16F2N2O2 — CID 165467492

IUPAC2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide
SMILESCC(C)C(C)OCC(F)(F)C(=O)NN
InChIInChI=1S/C8H16F2N2O2/c1-5(2)6(3)14-4-8(9,10)7(13)12-11/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyNSHPXYATKDIZLI-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.67
Rot. Bonds5

About 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide

2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide (PubChem CID 165467492) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide
PubChem CID165467492
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide
SMILESCC(C)C(C)OCC(F)(F)C(=O)NN
InChIInChI=1S/C8H16F2N2O2/c1-5(2)6(3)14-4-8(9,10)7(13)12-11/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyNSHPXYATKDIZLI-UHFFFAOYSA-N
XLogP0.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.67
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

2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
3-(3-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165467274
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
3-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507
3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
CID 165463834
2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide
CID 165463796
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide
CID 165462272
3-(4-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165462077
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(3-methylbutan-2-yl) butanedioate
CID 91739722
methyl 4,4,4-trifluoro-3-oxo-2-propan-2-ylbutanoate
CID 72737807
dimethyl 2-(2,2,2-trifluoroethoxy)propanedioate
CID 146296842

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide?
The IUPAC name of 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide (CID 165467492) is 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide is CC(C)C(C)OCC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide?
The InChIKey is NSHPXYATKDIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-5(2)6(3)14-4-8(9,10)7(13)12-11/h5-6H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide?
2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide has a molecular weight of 210.22 g/mol, XLogP of 0.67, 5 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-methylbutan-2-yloxy)propanehydrazide is sourced from PubChem (CID 165467492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).