3-(2,5-difluorophenyl)-4-fluoroaniline

C12H8F3N — CID 104781179

IUPAC3-(2,5-difluorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cc(F)ccc2F)c1
InChIInChI=1S/C12H8F3N/c13-7-1-3-11(14)9(5-7)10-6-8(16)2-4-12(10)15/h1-6H,16H2
InChIKeyJFOUEMZIMMUTMA-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.35
Rot. Bonds1

About 3-(2,5-difluorophenyl)-4-fluoroaniline

3-(2,5-difluorophenyl)-4-fluoroaniline (PubChem CID 104781179) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4-fluoroaniline
PubChem CID104781179
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(2,5-difluorophenyl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2cc(F)ccc2F)c1
InChIInChI=1S/C12H8F3N/c13-7-1-3-11(14)9(5-7)10-6-8(16)2-4-12(10)15/h1-6H,16H2
InChIKeyJFOUEMZIMMUTMA-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'}

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Related Compounds

4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
2-(2,5-difluorophenyl)pyrimidin-5-amine
CID 82283374
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
4-(2,4-difluorophenyl)-3-fluoroaniline
CID 57415152
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
3-(2,5-difluorophenyl)-2-methylaniline
CID 107626523
5-amino-2-(2,4-difluorophenyl)phenol
CID 171391098

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4-fluoroaniline?
The IUPAC name of 3-(2,5-difluorophenyl)-4-fluoroaniline (CID 104781179) is 3-(2,5-difluorophenyl)-4-fluoroaniline.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4-fluoroaniline?
The canonical SMILES for 3-(2,5-difluorophenyl)-4-fluoroaniline is Nc1ccc(F)c(-c2cc(F)ccc2F)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)-4-fluoroaniline?
The InChIKey is JFOUEMZIMMUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-7-1-3-11(14)9(5-7)10-6-8(16)2-4-12(10)15/h1-6H,16H2.
What are the key properties of 3-(2,5-difluorophenyl)-4-fluoroaniline?
3-(2,5-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-(2,5-difluorophenyl)-4-fluoroaniline is sourced from PubChem (CID 104781179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).