2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol

C8H8BrF2NO2 — CID 117423608

IUPAC2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
SMILESNCC(O)c1c(O)c(F)cc(Br)c1F
InChIInChI=1S/C8H8BrF2NO2/c9-3-1-4(10)8(14)6(7(3)11)5(13)2-12/h1,5,13-14H,2,12H2
InChIKeyAVGZRWAMIAHDOV-UHFFFAOYSA-N
MW268.06 g/mol
LogP1.42
Rot. Bonds2

About 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol

2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol (PubChem CID 117423608) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
PubChem CID117423608
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
SMILESNCC(O)c1c(O)c(F)cc(Br)c1F
InChIInChI=1S/C8H8BrF2NO2/c9-3-1-4(10)8(14)6(7(3)11)5(13)2-12/h1,5,13-14H,2,12H2
InChIKeyAVGZRWAMIAHDOV-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
3-(3-bromo-2,5-difluoro-6-hydroxyphenyl)butanal
CID 117447250
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
CID 83900500
2,5-dibromo-3,6-difluorophenol
CID 118990727
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol (CID 117423608) is 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol is NCC(O)c1c(O)c(F)cc(Br)c1F.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol?
The InChIKey is AVGZRWAMIAHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c9-3-1-4(10)8(14)6(7(3)11)5(13)2-12/h1,5,13-14H,2,12H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol?
2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol has a molecular weight of 268.06 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol is sourced from PubChem (CID 117423608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).