5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline

C8H7BrF3NO — CID 82004312

IUPAC5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCC(F)F
InChIInChI=1S/C8H7BrF3NO/c9-4-1-6(13)7(2-5(4)10)14-3-8(11)12/h1-2,8H,3,13H2
InChIKeyGFIUUECHXLXLQB-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline

5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline (PubChem CID 82004312) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
PubChem CID82004312
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCC(F)F
InChIInChI=1S/C8H7BrF3NO/c9-4-1-6(13)7(2-5(4)10)14-3-8(11)12/h1-2,8H,3,13H2
InChIKeyGFIUUECHXLXLQB-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.81
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-4-fluoro-2-nonoxyaniline
CID 103482858
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882
5-bromo-4-fluoro-2-[3-(2,2,2-trifluoroethoxy)propoxy]aniline
CID 103482862
5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
CID 66111940
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline (CID 82004312) is 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline is Nc1cc(Br)c(F)cc1OCC(F)F.
What is the InChIKey of 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline?
The InChIKey is GFIUUECHXLXLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-4-1-6(13)7(2-5(4)10)14-3-8(11)12/h1-2,8H,3,13H2.
What are the key properties of 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline?
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline has a molecular weight of 270.05 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline is sourced from PubChem (CID 82004312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).