2-N-fluorobenzene-1,2-diamine

C6H7FN2 — CID 22486709

IUPAC2-N-fluorobenzene-1,2-diamine
SMILESNc1ccccc1NF
InChIInChI=1S/C6H7FN2/c7-9-6-4-2-1-3-5(6)8/h1-4,9H,8H2
InChIKeyLFQKIPWZIYUJLP-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.57
Rot. Bonds1

About 2-N-fluorobenzene-1,2-diamine

2-N-fluorobenzene-1,2-diamine (PubChem CID 22486709) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 2-N-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-fluorobenzene-1,2-diamine
PubChem CID22486709
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name2-N-fluorobenzene-1,2-diamine
SMILESNc1ccccc1NF
InChIInChI=1S/C6H7FN2/c7-9-6-4-2-1-3-5(6)8/h1-4,9H,8H2
InChIKeyLFQKIPWZIYUJLP-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-fluorobenzene-1,2-diamine (CID 22486709) is 2-N-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-fluorobenzene-1,2-diamine is Nc1ccccc1NF.
What is the InChIKey of 2-N-fluorobenzene-1,2-diamine?
The InChIKey is LFQKIPWZIYUJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c7-9-6-4-2-1-3-5(6)8/h1-4,9H,8H2.
What are the key properties of 2-N-fluorobenzene-1,2-diamine?
2-N-fluorobenzene-1,2-diamine has a molecular weight of 126.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-fluorobenzene-1,2-diamine is sourced from PubChem (CID 22486709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).