(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide

C4H6Br2O2 — CID 175967963

IUPAC(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide
SMILESC[C@@](O)(CBr)C(=O)Br
InChIInChI=1S/C4H6Br2O2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3/t4-/m1/s1
InChIKeyLXVKFKOHXZTPIM-SCSAIBSYSA-N
MW245.90 g/mol
LogP1.05
Rot. Bonds2

About (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide

(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide (PubChem CID 175967963) has the molecular formula C4H6Br2O2 and a molecular weight of 245.90 g/mol. Its IUPAC name is (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide.

Molecular Properties

Compound Name(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide
PubChem CID175967963
Molecular FormulaC4H6Br2O2
Molecular Weight245.90 g/mol
Exact Mass243.87
IUPAC Name(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide
SMILESC[C@@](O)(CBr)C(=O)Br
InChIInChI=1S/C4H6Br2O2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3/t4-/m1/s1
InChIKeyLXVKFKOHXZTPIM-SCSAIBSYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.90
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-bromo-2-hydroxy-2-methylpropanamide
CID 88906751
(4S)-5-bromo-4-hydroxy-4-methylpentan-2-one
CID 155123975
2-bromo-2-methylpropanoyl bromide;hydrobromide
CID 87215154
CID 88952438
CID 88952438
(2S,3S,4R,5R)-2,3,4-triacetyl-2,3,4,5,6-pentahydroxy-5-methylhexanoyl bromide
CID 175902701
2-bromoacetyl bromide;tert-butyl 2-bromoacetate;dichloromethane;2-methylpropan-2-ol
CID 167572644
propane-1,1,1-tricarbonyl bromide
CID 88505667
2-(bromomethyl)-2,3,3-trimethylbutanoate
CID 22669337
2-(bromomethyl)-2-methyl-3-oxobutanoic acid
CID 154609627
(2S,3R,4S,5S)-2,3,4-triacetyl-2,3,4,5-tetrahydroxy-5-methyl-6-oxoheptanoyl bromide
CID 141311165
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 166441361

Frequently Asked Questions

What is the IUPAC name of (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide?
The IUPAC name of (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide (CID 175967963) is (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide.
What is the SMILES notation for (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide?
The canonical SMILES for (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide is C[C@@](O)(CBr)C(=O)Br.
What is the InChIKey of (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide?
The InChIKey is LXVKFKOHXZTPIM-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H6Br2O2/c1-4(8,2-5)3(6)7/h8H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide?
(2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide has a molecular weight of 245.90 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-2-hydroxy-2-methylpropanoyl bromide is sourced from PubChem (CID 175967963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).