4-(4-fluorophenyl)aniline

C12H10FN — CID 9462

IUPAC4-(4-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
InChIKeyHTRVALPKPVGOSZ-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.07
Rot. Bonds1

About 4-(4-fluorophenyl)aniline

4-(4-fluorophenyl)aniline (PubChem CID 9462) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)aniline
PubChem CID9462
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name4-(4-fluorophenyl)aniline
SMILESNc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
InChIKeyHTRVALPKPVGOSZ-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.07
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-(4-fluorophenyl)aniline?
The IUPAC name of 4-(4-fluorophenyl)aniline (CID 9462) is 4-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-(4-fluorophenyl)aniline?
The canonical SMILES for 4-(4-fluorophenyl)aniline is Nc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)aniline?
The InChIKey is HTRVALPKPVGOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2.
What are the key properties of 4-(4-fluorophenyl)aniline?
4-(4-fluorophenyl)aniline has a molecular weight of 187.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)aniline is sourced from PubChem (CID 9462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).