4-fluoroaniline

C6H6FN — CID 9731

IUPAC4-fluoroaniline
SMILESNc1ccc(F)cc1
InChIInChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKeyKRZCOLNOCZKSDF-UHFFFAOYSA-N
MW111.12 g/mol
LogP1.41
Rot. Bonds

About 4-fluoroaniline

4-fluoroaniline (PubChem CID 9731) has the molecular formula C6H6FN and a molecular weight of 111.12 g/mol. Its IUPAC name is 4-fluoroaniline.

Molecular Properties

Compound Name4-fluoroaniline
PubChem CID9731
Molecular FormulaC6H6FN
Molecular Weight111.12 g/mol
Exact Mass111.05
IUPAC Name4-fluoroaniline
SMILESNc1ccc(F)cc1
InChIInChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKeyKRZCOLNOCZKSDF-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 4-fluoroaniline?
The IUPAC name of 4-fluoroaniline (CID 9731) is 4-fluoroaniline.
What is the SMILES notation for 4-fluoroaniline?
The canonical SMILES for 4-fluoroaniline is Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoroaniline?
The InChIKey is KRZCOLNOCZKSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2.
What are the key properties of 4-fluoroaniline?
4-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 4-fluoroaniline is sourced from PubChem (CID 9731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).