2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide

C7H15F2N3O — CID 165463796

IUPAC2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide
SMILESCCCN(C)CC(F)(F)C(=O)NN
InChIInChI=1S/C7H15F2N3O/c1-3-4-12(2)5-7(8,9)6(13)11-10/h3-5,10H2,1-2H3,(H,11,13)
InChIKeyKAMUJPWPMOMEHB-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.05
Rot. Bonds5

About 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide

2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide (PubChem CID 165463796) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide
PubChem CID165463796
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide
SMILESCCCN(C)CC(F)(F)C(=O)NN
InChIInChI=1S/C7H15F2N3O/c1-3-4-12(2)5-7(8,9)6(13)11-10/h3-5,10H2,1-2H3,(H,11,13)
InChIKeyKAMUJPWPMOMEHB-UHFFFAOYSA-N
XLogP-0.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
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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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
CID 165463834
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
CID 165462267
3-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpropanehydrazide
CID 79630779
3-amino-1-methyl-1-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 90317680
3-amino-1-ethyl-1-propylurea
CID 43269070
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626181
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide?
The IUPAC name of 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide (CID 165463796) is 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide is CCCN(C)CC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide?
The InChIKey is KAMUJPWPMOMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-3-4-12(2)5-7(8,9)6(13)11-10/h3-5,10H2,1-2H3,(H,11,13).
What are the key properties of 2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide?
2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide has a molecular weight of 195.21 g/mol, XLogP of -0.05, 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-[methyl(propyl)amino]propanehydrazide is sourced from PubChem (CID 165463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).