4-fluorobenzenecarboximidamide

C7H7FN2 — CID 4295238

IUPAC4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyOSTGTIZRQZOYAH-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.11
Rot. Bonds1

About 4-fluorobenzenecarboximidamide

4-fluorobenzenecarboximidamide (PubChem CID 4295238) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 4-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-fluorobenzenecarboximidamide
PubChem CID4295238
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1
InChIInChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyOSTGTIZRQZOYAH-UHFFFAOYSA-N
XLogP1.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.11
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 4-fluorobenzenecarboximidamide?
The IUPAC name of 4-fluorobenzenecarboximidamide (CID 4295238) is 4-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-fluorobenzenecarboximidamide?
The canonical SMILES for 4-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzenecarboximidamide?
The InChIKey is OSTGTIZRQZOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10).
What are the key properties of 4-fluorobenzenecarboximidamide?
4-fluorobenzenecarboximidamide has a molecular weight of 138.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzenecarboximidamide is sourced from PubChem (CID 4295238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).