2,4-difluoro-6-(4-fluorophenoxy)aniline

C12H8F3NO — CID 113325387

IUPAC2,4-difluoro-6-(4-fluorophenoxy)aniline
SMILESNc1c(F)cc(F)cc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8F3NO/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H,16H2
InChIKeyMJVGRRBGCIHXSL-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.48
Rot. Bonds2

About 2,4-difluoro-6-(4-fluorophenoxy)aniline

2,4-difluoro-6-(4-fluorophenoxy)aniline (PubChem CID 113325387) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2,4-difluoro-6-(4-fluorophenoxy)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(4-fluorophenoxy)aniline
PubChem CID113325387
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2,4-difluoro-6-(4-fluorophenoxy)aniline
SMILESNc1c(F)cc(F)cc1Oc1ccc(F)cc1
InChIInChI=1S/C12H8F3NO/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H,16H2
InChIKeyMJVGRRBGCIHXSL-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-4,6-difluoroaniline
CID 113325400
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
2,4-difluoro-6-naphthalen-1-yloxyaniline
CID 115507262
2-(2-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
4-(2,5-difluorophenoxy)benzenecarbothioamide
CID 63269381
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(4-fluorophenoxy)aniline?
The IUPAC name of 2,4-difluoro-6-(4-fluorophenoxy)aniline (CID 113325387) is 2,4-difluoro-6-(4-fluorophenoxy)aniline.
What is the SMILES notation for 2,4-difluoro-6-(4-fluorophenoxy)aniline?
The canonical SMILES for 2,4-difluoro-6-(4-fluorophenoxy)aniline is Nc1c(F)cc(F)cc1Oc1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-6-(4-fluorophenoxy)aniline?
The InChIKey is MJVGRRBGCIHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-7-1-3-9(4-2-7)17-11-6-8(14)5-10(15)12(11)16/h1-6H,16H2.
What are the key properties of 2,4-difluoro-6-(4-fluorophenoxy)aniline?
2,4-difluoro-6-(4-fluorophenoxy)aniline has a molecular weight of 239.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(4-fluorophenoxy)aniline is sourced from PubChem (CID 113325387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).