3-fluoro-4-methylbenzenecarboximidamide

C8H9FN2 — CID 2737377

IUPAC3-fluoro-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(F)c1
InChIInChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKeyPWQHQNWOXBOOTJ-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.42
Rot. Bonds1

About 3-fluoro-4-methylbenzenecarboximidamide

3-fluoro-4-methylbenzenecarboximidamide (PubChem CID 2737377) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoro-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-methylbenzenecarboximidamide
PubChem CID2737377
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name3-fluoro-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(F)c1
InChIInChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11)
InChIKeyPWQHQNWOXBOOTJ-UHFFFAOYSA-N
XLogP1.42
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-4-methylbenzenecarboximidamide (CID 2737377) is 3-fluoro-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-4-methylbenzenecarboximidamide?
The InChIKey is PWQHQNWOXBOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H3,10,11).
What are the key properties of 3-fluoro-4-methylbenzenecarboximidamide?
3-fluoro-4-methylbenzenecarboximidamide has a molecular weight of 152.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylbenzenecarboximidamide is sourced from PubChem (CID 2737377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).