4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline

C12H7Br2F2NO — CID 116736386

IUPAC4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7Br2F2NO/c13-7-4-12(10(17)5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2
InChIKeyGIGVLSONRPIDDP-UHFFFAOYSA-N
MW379.00 g/mol
LogP4.86
Rot. Bonds2

About 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline

4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline (PubChem CID 116736386) has the molecular formula C12H7Br2F2NO and a molecular weight of 379.00 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
PubChem CID116736386
Molecular FormulaC12H7Br2F2NO
Molecular Weight379.00 g/mol
Exact Mass376.89
IUPAC Name4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
SMILESNc1cc(F)c(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7Br2F2NO/c13-7-4-12(10(17)5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2
InChIKeyGIGVLSONRPIDDP-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 54.86
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-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
6-amino-5-(2-bromo-4-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425859
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline?
The IUPAC name of 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline (CID 116736386) is 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline is Nc1cc(F)c(Br)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline?
The InChIKey is GIGVLSONRPIDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F2NO/c13-7-4-12(10(17)5-9(7)16)18-11-2-1-6(15)3-8(11)14/h1-5H,17H2.
What are the key properties of 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline?
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline has a molecular weight of 379.00 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline is sourced from PubChem (CID 116736386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).