4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide

C9H12FN3 — CID 143984782

IUPAC4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide
SMILESC/N=C(\NNC)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c1-11-9(13-12-2)7-3-5-8(10)6-4-7/h3-6,12H,1-2H3,(H,11,13)
InChIKeyHHKASZWKCLWMGT-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.93
Rot. Bonds2

About 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide

4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide (PubChem CID 143984782) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide
PubChem CID143984782
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide
SMILESC/N=C(\NNC)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c1-11-9(13-12-2)7-3-5-8(10)6-4-7/h3-6,12H,1-2H3,(H,11,13)
InChIKeyHHKASZWKCLWMGT-UHFFFAOYSA-N
XLogP0.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-methyl-N-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide (CID 143984782) is 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide is C/N=C(\NNC)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide?
The InChIKey is HHKASZWKCLWMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-11-9(13-12-2)7-3-5-8(10)6-4-7/h3-6,12H,1-2H3,(H,11,13).
What are the key properties of 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide?
4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide has a molecular weight of 181.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-methyl-N-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 143984782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).