2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide

C13H19F2N3O — CID 105352093

IUPAC2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CC(F)F)cc1
InChIInChI=1S/C13H19F2N3O/c1-9(13(19)17-16)11-5-3-10(4-6-11)7-18(2)8-12(14)15/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,19)
InChIKeySYHRVJUJRJHXMI-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.48
Rot. Bonds6

About 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide

2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide (PubChem CID 105352093) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
PubChem CID105352093
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CC(F)F)cc1
InChIInChI=1S/C13H19F2N3O/c1-9(13(19)17-16)11-5-3-10(4-6-11)7-18(2)8-12(14)15/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,19)
InChIKeySYHRVJUJRJHXMI-UHFFFAOYSA-N
XLogP1.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.48
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-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]propanehydrazide
CID 105351973
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
CID 105351851
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide (CID 105352093) is 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN(C)CC(F)F)cc1.
What is the InChIKey of 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide?
The InChIKey is SYHRVJUJRJHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-9(13(19)17-16)11-5-3-10(4-6-11)7-18(2)8-12(14)15/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide?
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide has a molecular weight of 271.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).