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

C8H7BrFNO3 — CID 156503052

IUPAC2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1CCO
InChIInChI=1S/C8H7BrFNO3/c9-6-4-8(11(13)14)5(1-2-12)3-7(6)10/h3-4,12H,1-2H2
InChIKeyFFDPFMUPYZZPSV-UHFFFAOYSA-N
MW264.05 g/mol
LogP2.03
Rot. Bonds3

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

2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol (PubChem CID 156503052) has the molecular formula C8H7BrFNO3 and a molecular weight of 264.05 g/mol. Its IUPAC name is 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
PubChem CID156503052
Molecular FormulaC8H7BrFNO3
Molecular Weight264.05 g/mol
Exact Mass262.96
IUPAC Name2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cc(Br)c(F)cc1CCO
InChIInChI=1S/C8H7BrFNO3/c9-6-4-8(11(13)14)5(1-2-12)3-7(6)10/h3-4,12H,1-2H2
InChIKeyFFDPFMUPYZZPSV-UHFFFAOYSA-N
XLogP2.03
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-bromo-5-fluoro-2-nitrophenyl)sulfanylethanol
CID 66110883
2-(4-bromo-5-fluoro-2-nitrophenoxy)ethanol
CID 103483928
1-(4-bromo-5-fluoro-2-nitrophenyl)propan-2-amine
CID 66110527
4-bromo-5-fluoro-2-nitrobenzoyl chloride
CID 124925511
1-(4-bromo-5-fluoro-2-nitrophenyl)butan-2-amine
CID 66111121
1-(4-bromo-5-fluoro-2-nitrophenyl)-N,3-dimethylbutan-2-amine
CID 66109943
3-(4-bromo-5-fluoro-N-methyl-2-nitroanilino)propan-1-ol
CID 114230712
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
2-[4-(bromomethyl)-2-nitrophenyl]ethanol
CID 68828100
3-(4-bromo-5-fluoro-2-nitroanilino)-4-methylpentan-1-ol
CID 106350561
3-(4-bromo-5-fluoro-2-nitroanilino)-2,2-dimethylpropan-1-ol
CID 113294087
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol?
The IUPAC name of 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol (CID 156503052) is 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol is O=[N+]([O-])c1cc(Br)c(F)cc1CCO.
What is the InChIKey of 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol?
The InChIKey is FFDPFMUPYZZPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO3/c9-6-4-8(11(13)14)5(1-2-12)3-7(6)10/h3-4,12H,1-2H2.
What are the key properties of 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol?
2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol has a molecular weight of 264.05 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol is sourced from PubChem (CID 156503052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).