2-bromo(114C)ethanol

C2H5BrO — CID 10606751

IUPAC2-bromo(114C)ethanol
SMILESO[14CH2]CBr
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i2+2
InChIKeyLDLCZOVUSADOIV-HQMMCQRPSA-N
MW126.96 g/mol
LogP0.37
Rot. Bonds1

About 2-bromo(114C)ethanol

2-bromo(114C)ethanol (PubChem CID 10606751) has the molecular formula C2H5BrO and a molecular weight of 126.96 g/mol. Its IUPAC name is 2-bromo(114C)ethanol.

Molecular Properties

Compound Name2-bromo(114C)ethanol
PubChem CID10606751
Molecular FormulaC2H5BrO
Molecular Weight126.96 g/mol
Exact Mass125.96
IUPAC Name2-bromo(114C)ethanol
SMILESO[14CH2]CBr
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i2+2
InChIKeyLDLCZOVUSADOIV-HQMMCQRPSA-N
XLogP0.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.96
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo(114C)ethanol?
The IUPAC name of 2-bromo(114C)ethanol (CID 10606751) is 2-bromo(114C)ethanol.
What is the SMILES notation for 2-bromo(114C)ethanol?
The canonical SMILES for 2-bromo(114C)ethanol is O[14CH2]CBr.
What is the InChIKey of 2-bromo(114C)ethanol?
The InChIKey is LDLCZOVUSADOIV-HQMMCQRPSA-N. The full InChI is InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i2+2.
What are the key properties of 2-bromo(114C)ethanol?
2-bromo(114C)ethanol has a molecular weight of 126.96 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo(114C)ethanol is sourced from PubChem (CID 10606751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).