4-(2,5-dichlorophenoxy)-3-fluoroaniline

C12H8Cl2FNO — CID 28972706

IUPAC4-(2,5-dichlorophenoxy)-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2FNO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2
InChIKeyJHQYMVKFYOBJHJ-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.51
Rot. Bonds2

About 4-(2,5-dichlorophenoxy)-3-fluoroaniline

4-(2,5-dichlorophenoxy)-3-fluoroaniline (PubChem CID 28972706) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-3-fluoroaniline
PubChem CID28972706
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name4-(2,5-dichlorophenoxy)-3-fluoroaniline
SMILESNc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C12H8Cl2FNO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2
InChIKeyJHQYMVKFYOBJHJ-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-3-fluoroaniline?
The IUPAC name of 4-(2,5-dichlorophenoxy)-3-fluoroaniline (CID 28972706) is 4-(2,5-dichlorophenoxy)-3-fluoroaniline.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-3-fluoroaniline?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-3-fluoroaniline is Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-3-fluoroaniline?
The InChIKey is JHQYMVKFYOBJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-7-1-3-9(14)12(5-7)17-11-4-2-8(16)6-10(11)15/h1-6H,16H2.
What are the key properties of 4-(2,5-dichlorophenoxy)-3-fluoroaniline?
4-(2,5-dichlorophenoxy)-3-fluoroaniline has a molecular weight of 272.11 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-3-fluoroaniline is sourced from PubChem (CID 28972706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).