5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline

C12H7ClF3NO — CID 66077323

IUPAC5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1Oc1cccc(F)c1F
InChIInChI=1S/C12H7ClF3NO/c13-6-4-9(17)11(5-8(6)15)18-10-3-1-2-7(14)12(10)16/h1-5H,17H2
InChIKeyUXSJESIMRUKZCK-UHFFFAOYSA-N
MW273.64 g/mol
LogP4.13
Rot. Bonds2

About 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline

5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline (PubChem CID 66077323) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
PubChem CID66077323
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Cl)c(F)cc1Oc1cccc(F)c1F
InChIInChI=1S/C12H7ClF3NO/c13-6-4-9(17)11(5-8(6)15)18-10-3-1-2-7(14)12(10)16/h1-5H,17H2
InChIKeyUXSJESIMRUKZCK-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 54.13
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-naphthalen-1-yloxyaniline
CID 66076535
5-chloro-4-fluoro-2-(2-iodophenoxy)aniline
CID 66078879
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-chloro-4-(2,3-difluorophenoxy)-5-methylaniline
CID 113334465
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline?
The IUPAC name of 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline (CID 66077323) is 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline?
The canonical SMILES for 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline is Nc1cc(Cl)c(F)cc1Oc1cccc(F)c1F.
What is the InChIKey of 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline?
The InChIKey is UXSJESIMRUKZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-6-4-9(17)11(5-8(6)15)18-10-3-1-2-7(14)12(10)16/h1-5H,17H2.
What are the key properties of 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline?
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline has a molecular weight of 273.64 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline is sourced from PubChem (CID 66077323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).