4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

C12H19F2N3 — CID 105259354

IUPAC4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C12H19F2N3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(13)12(9)14/h3-5,10,16H,6-8,15H2,1-2H3
InChIKeyMREYPWPIJJBGEA-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.29
Rot. Bonds6

About 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine

4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (PubChem CID 105259354) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
PubChem CID105259354
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C12H19F2N3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(13)12(9)14/h3-5,10,16H,6-8,15H2,1-2H3
InChIKeyMREYPWPIJJBGEA-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
4-(2-bromo-3-fluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259150
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
[1-(4-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105342687
[1-(2,3-difluorophenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297922

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine (CID 105259354) is 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is CN(C)CCC(Cc1cccc(F)c1F)NN.
What is the InChIKey of 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
The InChIKey is MREYPWPIJJBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-17(2)7-6-10(16-15)8-9-4-3-5-11(13)12(9)14/h3-5,10,16H,6-8,15H2,1-2H3.
What are the key properties of 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine?
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 105259354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).