2-fluoroaniline

C6H6FN — CID 9584

IUPAC2-fluoroaniline
SMILESNc1ccccc1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKeyFTZQXOJYPFINKJ-UHFFFAOYSA-N
MW111.12 g/mol
LogP1.41
Rot. Bonds

About 2-fluoroaniline

2-fluoroaniline (PubChem CID 9584) has the molecular formula C6H6FN and a molecular weight of 111.12 g/mol. Its IUPAC name is 2-fluoroaniline.

Molecular Properties

Compound Name2-fluoroaniline
PubChem CID9584
Molecular FormulaC6H6FN
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name2-fluoroaniline
SMILESNc1ccccc1F
InChIInChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKeyFTZQXOJYPFINKJ-UHFFFAOYSA-N
XLogP1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroaniline?
The IUPAC name of 2-fluoroaniline (CID 9584) is 2-fluoroaniline.
What is the SMILES notation for 2-fluoroaniline?
The canonical SMILES for 2-fluoroaniline is Nc1ccccc1F.
What is the InChIKey of 2-fluoroaniline?
The InChIKey is FTZQXOJYPFINKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2.
What are the key properties of 2-fluoroaniline?
2-fluoroaniline has a molecular weight of 111.12 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroaniline is sourced from PubChem (CID 9584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).