3-(3,4-difluorophenyl)-4-fluoroaniline

C12H8F3N — CID 104781175

IUPAC3-(3,4-difluorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H8F3N/c13-10-4-2-8(16)6-9(10)7-1-3-11(14)12(15)5-7/h1-6H,16H2
InChIKeyOOMLNPIQLUTQBA-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.35
Rot. Bonds1

About 3-(3,4-difluorophenyl)-4-fluoroaniline

3-(3,4-difluorophenyl)-4-fluoroaniline (PubChem CID 104781175) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4-fluoroaniline
PubChem CID104781175
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(3,4-difluorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H8F3N/c13-10-4-2-8(16)6-9(10)7-1-3-11(14)12(15)5-7/h1-6H,16H2
InChIKeyOOMLNPIQLUTQBA-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,4-difluorophenyl)-4-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite
CID 142606268
3-[4-(dimethylamino)phenyl]-4-fluoroaniline
CID 104781143
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
4-fluoro-3-(4-phenoxyphenyl)aniline
CID 104781257
3-(4-benzylphenyl)-4-fluoroaniline
CID 104781281
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
CID 82296847
3-(3,4-difluorophenyl)-2,5-dimethylaniline
CID 165494668

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4-fluoroaniline?
The IUPAC name of 3-(3,4-difluorophenyl)-4-fluoroaniline (CID 104781175) is 3-(3,4-difluorophenyl)-4-fluoroaniline.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4-fluoroaniline?
The canonical SMILES for 3-(3,4-difluorophenyl)-4-fluoroaniline is Nc1ccc(F)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-4-fluoroaniline?
The InChIKey is OOMLNPIQLUTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-10-4-2-8(16)6-9(10)7-1-3-11(14)12(15)5-7/h1-6H,16H2.
What are the key properties of 3-(3,4-difluorophenyl)-4-fluoroaniline?
3-(3,4-difluorophenyl)-4-fluoroaniline has a molecular weight of 223.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4-fluoroaniline is sourced from PubChem (CID 104781175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).