2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline

C12H8BrClFNO — CID 60789446

IUPAC2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
SMILESNc1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H8BrClFNO/c13-8-6-7(14)4-5-10(8)17-11-3-1-2-9(15)12(11)16/h1-6H,16H2
InChIKeyOWZKXZJITCXHRO-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.62
Rot. Bonds2

About 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline

2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline (PubChem CID 60789446) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
PubChem CID60789446
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
SMILESNc1c(F)cccc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C12H8BrClFNO/c13-8-6-7(14)4-5-10(8)17-11-3-1-2-9(15)12(11)16/h1-6H,16H2
InChIKeyOWZKXZJITCXHRO-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.62
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-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(2-bromo-4-chlorophenoxy)benzenecarbothioamide
CID 28602334
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(2-bromo-4-chlorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658275
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline (CID 60789446) is 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline is Nc1c(F)cccc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline?
The InChIKey is OWZKXZJITCXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-8-6-7(14)4-5-10(8)17-11-3-1-2-9(15)12(11)16/h1-6H,16H2.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline?
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline has a molecular weight of 316.56 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline is sourced from PubChem (CID 60789446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).