4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide

C9H13FN4 — CID 138630858

IUPAC4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N\NN)c1ccc(F)cc1
InChIInChI=1S/C9H13FN4/c1-14(2)9(12-13-11)7-3-5-8(10)6-4-7/h3-6,13H,11H2,1-2H3/b12-9-
InChIKeySJFBWERGRCWBMK-XFXZXTDPSA-N
MW196.23 g/mol
LogP0.51
Rot. Bonds2

About 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide

4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide (PubChem CID 138630858) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide
PubChem CID138630858
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N\NN)c1ccc(F)cc1
InChIInChI=1S/C9H13FN4/c1-14(2)9(12-13-11)7-3-5-8(10)6-4-7/h3-6,13H,11H2,1-2H3/b12-9-
InChIKeySJFBWERGRCWBMK-XFXZXTDPSA-N
XLogP0.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide (CID 138630858) is 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide is CN(C)/C(=N\NN)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide?
The InChIKey is SJFBWERGRCWBMK-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H13FN4/c1-14(2)9(12-13-11)7-3-5-8(10)6-4-7/h3-6,13H,11H2,1-2H3/b12-9-.
What are the key properties of 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide?
4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide has a molecular weight of 196.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-hydrazinyl-N,N-dimethylbenzenecarboximidamide is sourced from PubChem (CID 138630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).