4-fluoro-N-phenylaniline

C12H10FN — CID 2774468

IUPAC4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyRBWCFTJQRDTIBX-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.57
Rot. Bonds2

About 4-fluoro-N-phenylaniline

4-fluoro-N-phenylaniline (PubChem CID 2774468) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-fluoro-N-phenylaniline.

Molecular Properties

Compound Name4-fluoro-N-phenylaniline
PubChem CID2774468
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name4-fluoro-N-phenylaniline
SMILESFc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKeyRBWCFTJQRDTIBX-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-phenylaniline?
The IUPAC name of 4-fluoro-N-phenylaniline (CID 2774468) is 4-fluoro-N-phenylaniline.
What is the SMILES notation for 4-fluoro-N-phenylaniline?
The canonical SMILES for 4-fluoro-N-phenylaniline is Fc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-phenylaniline?
The InChIKey is RBWCFTJQRDTIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H.
What are the key properties of 4-fluoro-N-phenylaniline?
4-fluoro-N-phenylaniline has a molecular weight of 187.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-phenylaniline is sourced from PubChem (CID 2774468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).