4-fluoro-2-phenylaniline

C12H10FN — CID 19089219

IUPAC4-fluoro-2-phenylaniline
SMILESNc1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C12H10FN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyJDRKNEMJCQALHM-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.07
Rot. Bonds1

About 4-fluoro-2-phenylaniline

4-fluoro-2-phenylaniline (PubChem CID 19089219) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-fluoro-2-phenylaniline.

Molecular Properties

Compound Name4-fluoro-2-phenylaniline
PubChem CID19089219
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name4-fluoro-2-phenylaniline
SMILESNc1ccc(F)cc1-c1ccccc1
InChIInChI=1S/C12H10FN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyJDRKNEMJCQALHM-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-fluoro-2-phenylaniline?
The IUPAC name of 4-fluoro-2-phenylaniline (CID 19089219) is 4-fluoro-2-phenylaniline.
What is the SMILES notation for 4-fluoro-2-phenylaniline?
The canonical SMILES for 4-fluoro-2-phenylaniline is Nc1ccc(F)cc1-c1ccccc1.
What is the InChIKey of 4-fluoro-2-phenylaniline?
The InChIKey is JDRKNEMJCQALHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of 4-fluoro-2-phenylaniline?
4-fluoro-2-phenylaniline 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-fluoro-2-phenylaniline is sourced from PubChem (CID 19089219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).