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

C12H8F3N — CID 57415152

IUPAC4-(2,4-difluorophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C12H8F3N/c13-7-1-3-9(11(14)5-7)10-4-2-8(16)6-12(10)15/h1-6H,16H2
InChIKeyFAZSCYDKCVDHRE-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.35
Rot. Bonds1

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

4-(2,4-difluorophenyl)-3-fluoroaniline (PubChem CID 57415152) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-fluoroaniline
PubChem CID57415152
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name4-(2,4-difluorophenyl)-3-fluoroaniline
SMILESNc1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C12H8F3N/c13-7-1-3-9(11(14)5-7)10-4-2-8(16)6-12(10)15/h1-6H,16H2
InChIKeyFAZSCYDKCVDHRE-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

5-amino-2-(2,4-difluorophenyl)phenol
CID 171391098
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-(2-aminophenyl)-3-fluoroaniline
CID 68788831
4-(2,4-difluorophenyl)benzene-1,2-diamine
CID 172847210
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
3-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 107795244
3-fluoro-4-(4-methylnaphthalen-1-yl)aniline
CID 65437779
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
3-chloro-5-(2,4-difluorophenyl)pyridin-4-amine
CID 176730012
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-fluoroaniline?
The IUPAC name of 4-(2,4-difluorophenyl)-3-fluoroaniline (CID 57415152) is 4-(2,4-difluorophenyl)-3-fluoroaniline.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-fluoroaniline?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-fluoroaniline is Nc1ccc(-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-fluoroaniline?
The InChIKey is FAZSCYDKCVDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-7-1-3-9(11(14)5-7)10-4-2-8(16)6-12(10)15/h1-6H,16H2.
What are the key properties of 4-(2,4-difluorophenyl)-3-fluoroaniline?
4-(2,4-difluorophenyl)-3-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 4-(2,4-difluorophenyl)-3-fluoroaniline is sourced from PubChem (CID 57415152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).