4-(2,3,5,6-tetrafluorophenoxy)aniline

C12H7F4NO — CID 102133014

IUPAC4-(2,3,5,6-tetrafluorophenoxy)aniline
SMILESNc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C12H7F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-7-3-1-6(17)2-4-7/h1-5H,17H2
InChIKeyGZCOILZIPRLULL-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.62
Rot. Bonds2

About 4-(2,3,5,6-tetrafluorophenoxy)aniline

4-(2,3,5,6-tetrafluorophenoxy)aniline (PubChem CID 102133014) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluorophenoxy)aniline.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluorophenoxy)aniline
PubChem CID102133014
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name4-(2,3,5,6-tetrafluorophenoxy)aniline
SMILESNc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C12H7F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-7-3-1-6(17)2-4-7/h1-5H,17H2
InChIKeyGZCOILZIPRLULL-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3-(4-methylphenoxy)benzene
CID 102110904
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
4-(4-aminophenoxy)aniline
CID 161415647
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-bromo-4,5-difluorophenoxy)aniline
CID 86811267
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-(4-aminophenoxy)-2,3,5,6-tetramethylaniline
CID 15937172

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)aniline?
The IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)aniline (CID 102133014) is 4-(2,3,5,6-tetrafluorophenoxy)aniline.
What is the SMILES notation for 4-(2,3,5,6-tetrafluorophenoxy)aniline?
The canonical SMILES for 4-(2,3,5,6-tetrafluorophenoxy)aniline is Nc1ccc(Oc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-(2,3,5,6-tetrafluorophenoxy)aniline?
The InChIKey is GZCOILZIPRLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-8-5-9(14)11(16)12(10(8)15)18-7-3-1-6(17)2-4-7/h1-5H,17H2.
What are the key properties of 4-(2,3,5,6-tetrafluorophenoxy)aniline?
4-(2,3,5,6-tetrafluorophenoxy)aniline has a molecular weight of 257.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluorophenoxy)aniline is sourced from PubChem (CID 102133014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).