4-(2-bromo-4,5-difluorophenoxy)aniline

C12H8BrF2NO — CID 86811267

IUPAC4-(2-bromo-4,5-difluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)c(F)cc2Br)cc1
InChIInChI=1S/C12H8BrF2NO/c13-9-5-10(14)11(15)6-12(9)17-8-3-1-7(16)2-4-8/h1-6H,16H2
InChIKeyOYSNFLKQWNEFFK-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.10
Rot. Bonds2

About 4-(2-bromo-4,5-difluorophenoxy)aniline

4-(2-bromo-4,5-difluorophenoxy)aniline (PubChem CID 86811267) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-(2-bromo-4,5-difluorophenoxy)aniline.

Molecular Properties

Compound Name4-(2-bromo-4,5-difluorophenoxy)aniline
PubChem CID86811267
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name4-(2-bromo-4,5-difluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)c(F)cc2Br)cc1
InChIInChI=1S/C12H8BrF2NO/c13-9-5-10(14)11(15)6-12(9)17-8-3-1-7(16)2-4-8/h1-6H,16H2
InChIKeyOYSNFLKQWNEFFK-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
4-(4-bromo-5-fluoro-2-nitrophenoxy)aniline
CID 66110501
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-(4-aminophenoxy)aniline
CID 161415647
4-(2,3,5,6-tetrafluorophenoxy)aniline
CID 102133014
(2S)-2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid;hydrochloride
CID 139290995
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-difluorophenoxy)aniline?
The IUPAC name of 4-(2-bromo-4,5-difluorophenoxy)aniline (CID 86811267) is 4-(2-bromo-4,5-difluorophenoxy)aniline.
What is the SMILES notation for 4-(2-bromo-4,5-difluorophenoxy)aniline?
The canonical SMILES for 4-(2-bromo-4,5-difluorophenoxy)aniline is Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1.
What is the InChIKey of 4-(2-bromo-4,5-difluorophenoxy)aniline?
The InChIKey is OYSNFLKQWNEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-9-5-10(14)11(15)6-12(9)17-8-3-1-7(16)2-4-8/h1-6H,16H2.
What are the key properties of 4-(2-bromo-4,5-difluorophenoxy)aniline?
4-(2-bromo-4,5-difluorophenoxy)aniline has a molecular weight of 300.10 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-difluorophenoxy)aniline is sourced from PubChem (CID 86811267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).