2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline

C12H7BrF2INO — CID 66100344

IUPAC2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
SMILESNc1cc(I)c(F)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7BrF2INO/c13-7-3-6(14)1-2-11(7)18-12-4-8(15)9(16)5-10(12)17/h1-5H,17H2
InChIKeyBPGDCVSZHFEXLV-UHFFFAOYSA-N
MW426.00 g/mol
LogP4.71
Rot. Bonds2

About 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline

2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline (PubChem CID 66100344) has the molecular formula C12H7BrF2INO and a molecular weight of 426.00 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
PubChem CID66100344
Molecular FormulaC12H7BrF2INO
Molecular Weight426.00 g/mol
Exact Mass424.87
IUPAC Name2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
SMILESNc1cc(I)c(F)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H7BrF2INO/c13-7-3-6(14)1-2-11(7)18-12-4-8(15)9(16)5-10(12)17/h1-5H,17H2
InChIKeyBPGDCVSZHFEXLV-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
1-(2-bromo-4-fluorophenoxy)-5-fluoro-4-iodo-2-nitrobenzene
CID 66086759
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
6-amino-5-(2-bromo-4-fluorophenoxy)-3H-1,3-benzoxazol-2-one
CID 115425859
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline (CID 66100344) is 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline is Nc1cc(I)c(F)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline?
The InChIKey is BPGDCVSZHFEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2INO/c13-7-3-6(14)1-2-11(7)18-12-4-8(15)9(16)5-10(12)17/h1-5H,17H2.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline?
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline has a molecular weight of 426.00 g/mol, XLogP of 4.71, 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-fluorophenoxy)-4-fluoro-5-iodoaniline is sourced from PubChem (CID 66100344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).