4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline

C12H8ClF2NO — CID 114089137

IUPAC4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
SMILESNc1cc(F)c(Cl)cc1Oc1cccc(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-9-5-12(11(16)6-10(9)15)17-8-3-1-2-7(14)4-8/h1-6H,16H2
InChIKeyLZRNTKUGAOPXJH-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.99
Rot. Bonds2

About 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline

4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline (PubChem CID 114089137) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
PubChem CID114089137
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
SMILESNc1cc(F)c(Cl)cc1Oc1cccc(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-9-5-12(11(16)6-10(9)15)17-8-3-1-2-7(14)4-8/h1-6H,16H2
InChIKeyLZRNTKUGAOPXJH-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.99
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

5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
4-(2-chlorophenyl)-3-(3-fluorophenoxy)aniline
CID 123431016
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
CID 114089160
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline?
The IUPAC name of 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline (CID 114089137) is 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline.
What is the SMILES notation for 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline?
The canonical SMILES for 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline is Nc1cc(F)c(Cl)cc1Oc1cccc(F)c1.
What is the InChIKey of 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline?
The InChIKey is LZRNTKUGAOPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-9-5-12(11(16)6-10(9)15)17-8-3-1-2-7(14)4-8/h1-6H,16H2.
What are the key properties of 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline?
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline has a molecular weight of 255.65 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline is sourced from PubChem (CID 114089137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).