2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol

C8H7BrFNO4 — CID 103483928

IUPAC2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCCO
InChIInChI=1S/C8H7BrFNO4/c9-5-3-7(11(13)14)8(4-6(5)10)15-2-1-12/h3-4,12H,1-2H2
InChIKeyBDAMYRBKNCAMMB-UHFFFAOYSA-N
MW280.05 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol

2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol (PubChem CID 103483928) has the molecular formula C8H7BrFNO4 and a molecular weight of 280.05 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
PubChem CID103483928
Molecular FormulaC8H7BrFNO4
Molecular Weight280.05 g/mol
Exact Mass278.95
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1OCCO
InChIInChI=1S/C8H7BrFNO4/c9-5-3-7(11(13)14)8(4-6(5)10)15-2-1-12/h3-4,12H,1-2H2
InChIKeyBDAMYRBKNCAMMB-UHFFFAOYSA-N
XLogP1.87
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-fluoro-4-(fluoromethoxy)-5-nitrobenzene
CID 118852889
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylethanamine
CID 66110128
1-bromo-2-fluoro-5-nitro-4-tetradecoxybenzene
CID 175497603
6-(4-bromo-5-fluoro-2-nitrophenoxy)hexan-3-one
CID 106802191
3-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpropan-1-amine
CID 103483520
1-(4-bromo-5-fluoro-2-nitrophenoxy)butan-2-one
CID 103483442
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanimidamide
CID 103483313
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
1-bromo-2-fluoro-5-(fluoromethoxy)-4-nitrobenzene
CID 118807797
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonyl chloride
CID 103484203
2-(5-bromo-4-fluoro-2-nitrophenoxy)-N-methylethanamine
CID 116739714
[4-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869582

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol (CID 103483928) is 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol is O=[N+]([O-])c1cc(Br)c(F)cc1OCCO.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol?
The InChIKey is BDAMYRBKNCAMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO4/c9-5-3-7(11(13)14)8(4-6(5)10)15-2-1-12/h3-4,12H,1-2H2.
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol?
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol has a molecular weight of 280.05 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol is sourced from PubChem (CID 103483928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).