(2R,3R)-2-bromo-3-methoxybutane

C5H11BrO — CID 15737646

IUPAC(2R,3R)-2-bromo-3-methoxybutane
SMILESCO[C@H](C)[C@@H](C)Br
InChIInChI=1S/C5H11BrO/c1-4(6)5(2)7-3/h4-5H,1-3H3/t4-,5-/m1/s1
InChIKeyMNFFVQPIBJUTHA-RFZPGFLSSA-N
MW167.05 g/mol
LogP1.80
Rot. Bonds2

About (2R,3R)-2-bromo-3-methoxybutane

(2R,3R)-2-bromo-3-methoxybutane (PubChem CID 15737646) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is (2R,3R)-2-bromo-3-methoxybutane.

Molecular Properties

Compound Name(2R,3R)-2-bromo-3-methoxybutane
PubChem CID15737646
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name(2R,3R)-2-bromo-3-methoxybutane
SMILESCO[C@H](C)[C@@H](C)Br
InChIInChI=1S/C5H11BrO/c1-4(6)5(2)7-3/h4-5H,1-3H3/t4-,5-/m1/s1
InChIKeyMNFFVQPIBJUTHA-RFZPGFLSSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
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 (2R,3R)-2-bromo-3-methoxybutane?
The IUPAC name of (2R,3R)-2-bromo-3-methoxybutane (CID 15737646) is (2R,3R)-2-bromo-3-methoxybutane.
What is the SMILES notation for (2R,3R)-2-bromo-3-methoxybutane?
The canonical SMILES for (2R,3R)-2-bromo-3-methoxybutane is CO[C@H](C)[C@@H](C)Br.
What is the InChIKey of (2R,3R)-2-bromo-3-methoxybutane?
The InChIKey is MNFFVQPIBJUTHA-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11BrO/c1-4(6)5(2)7-3/h4-5H,1-3H3/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-2-bromo-3-methoxybutane?
(2R,3R)-2-bromo-3-methoxybutane has a molecular weight of 167.05 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-bromo-3-methoxybutane is sourced from PubChem (CID 15737646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).