2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol

C10H12BrF2NO2 — CID 61070702

IUPAC2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO2/c11-8-5-7(12)6-9(13)10(8)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeyPUPYQOLJXOPWDJ-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.15
Rot. Bonds6

About 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol

2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol (PubChem CID 61070702) has the molecular formula C10H12BrF2NO2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
PubChem CID61070702
Molecular FormulaC10H12BrF2NO2
Molecular Weight296.11 g/mol
Exact Mass295.00
IUPAC Name2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
SMILESOCCOCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO2/c11-8-5-7(12)6-9(13)10(8)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2
InChIKeyPUPYQOLJXOPWDJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,4,6-tribromoanilino)ethoxy]ethanol
CID 61070527
2-[2-(2,3,5-trifluoroanilino)ethoxy]ethanol
CID 62810263
2-bromo-4,6-difluoro-N-(3-methylbut-3-enyl)aniline
CID 114472022
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-[2-(2,6-dibromoanilino)ethoxy]ethanol
CID 107599049
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209
2-bromo-N-(3,3-diethoxypropyl)-4,6-difluoroaniline
CID 81093418
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol (CID 61070702) is 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol is OCCOCCNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol?
The InChIKey is PUPYQOLJXOPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2/c11-8-5-7(12)6-9(13)10(8)14-1-3-16-4-2-15/h5-6,14-15H,1-4H2.
What are the key properties of 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol?
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol has a molecular weight of 296.11 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol is sourced from PubChem (CID 61070702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).