2-hydroxyethyl 2-bromo-5-fluorobenzoate

C9H8BrFO3 — CID 55537059

IUPAC2-hydroxyethyl 2-bromo-5-fluorobenzoate
SMILESO=C(OCCO)c1cc(F)ccc1Br
InChIInChI=1S/C9H8BrFO3/c10-8-2-1-6(11)5-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4H2
InChIKeyARCDXYMUMNYOFX-UHFFFAOYSA-N
MW263.06 g/mol
LogP1.74
Rot. Bonds3

About 2-hydroxyethyl 2-bromo-5-fluorobenzoate

2-hydroxyethyl 2-bromo-5-fluorobenzoate (PubChem CID 55537059) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 2-hydroxyethyl 2-bromo-5-fluorobenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-bromo-5-fluorobenzoate
PubChem CID55537059
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name2-hydroxyethyl 2-bromo-5-fluorobenzoate
SMILESO=C(OCCO)c1cc(F)ccc1Br
InChIInChI=1S/C9H8BrFO3/c10-8-2-1-6(11)5-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4H2
InChIKeyARCDXYMUMNYOFX-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-bromo-5-fluorobenzoate
CID 112724264
(3-fluorophenyl)methyl 2-bromo-5-fluorobenzoate
CID 55404850
2-fluoroethyl 2-amino-5-fluorobenzoate
CID 79078827
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromo-5-fluorobenzoate
CID 8987106
[4-(difluoromethoxy)phenyl]methyl 2-bromo-5-fluorobenzoate
CID 55973507
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987262
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
2-ethoxyethyl 2-bromo-4-fluorobenzoate
CID 78832548
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 8987555
propyl 2,5-difluorobenzoate
CID 43416946

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-bromo-5-fluorobenzoate?
The IUPAC name of 2-hydroxyethyl 2-bromo-5-fluorobenzoate (CID 55537059) is 2-hydroxyethyl 2-bromo-5-fluorobenzoate.
What is the SMILES notation for 2-hydroxyethyl 2-bromo-5-fluorobenzoate?
The canonical SMILES for 2-hydroxyethyl 2-bromo-5-fluorobenzoate is O=C(OCCO)c1cc(F)ccc1Br.
What is the InChIKey of 2-hydroxyethyl 2-bromo-5-fluorobenzoate?
The InChIKey is ARCDXYMUMNYOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c10-8-2-1-6(11)5-7(8)9(13)14-4-3-12/h1-2,5,12H,3-4H2.
What are the key properties of 2-hydroxyethyl 2-bromo-5-fluorobenzoate?
2-hydroxyethyl 2-bromo-5-fluorobenzoate has a molecular weight of 263.06 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-bromo-5-fluorobenzoate is sourced from PubChem (CID 55537059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).