(2R,4S)-2,4-dibromopentan-3-one

C5H8Br2O — CID 7567036

IUPAC(2R,4S)-2,4-dibromopentan-3-one
SMILESC[C@H](Br)C(=O)[C@@H](C)Br
InChIInChI=1S/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+
InChIKeyUOPIOAUZQKSZRO-ZXZARUISSA-N
MW243.93 g/mol
LogP2.12
Rot. Bonds2

About (2R,4S)-2,4-dibromopentan-3-one

(2R,4S)-2,4-dibromopentan-3-one (PubChem CID 7567036) has the molecular formula C5H8Br2O and a molecular weight of 243.93 g/mol. Its IUPAC name is (2R,4S)-2,4-dibromopentan-3-one.

Molecular Properties

Compound Name(2R,4S)-2,4-dibromopentan-3-one
PubChem CID7567036
Molecular FormulaC5H8Br2O
Molecular Weight243.93 g/mol
Exact Mass241.89
IUPAC Name(2R,4S)-2,4-dibromopentan-3-one
SMILESC[C@H](Br)C(=O)[C@@H](C)Br
InChIInChI=1S/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+
InChIKeyUOPIOAUZQKSZRO-ZXZARUISSA-N
XLogP2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoropentan-3-one
CID 18740647
(2S)-2-bromopropanoic acid
CID 642232
barium(2+);2-bromopropanoic acid;hydride
CID 173389157
2-bromopropanoic acid;methoxymethane
CID 159963674
3-bromo-2-oxobutanal
CID 54268637
bis(3-bromobutan-2-one);bis(3-chlorobutan-2-one)
CID 159251456
3-bromo-2-oxobutanoate
CID 23470142
bromoform;propan-2-one
CID 174299446
phosphanyl 2-bromopropanoate
CID 22086776
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
2,4-dimethyl-3-oxopentanedial
CID 59445454
ethyl (2R)-2-bromopropanoate
CID 7003709

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dibromopentan-3-one?
The IUPAC name of (2R,4S)-2,4-dibromopentan-3-one (CID 7567036) is (2R,4S)-2,4-dibromopentan-3-one.
What is the SMILES notation for (2R,4S)-2,4-dibromopentan-3-one?
The canonical SMILES for (2R,4S)-2,4-dibromopentan-3-one is C[C@H](Br)C(=O)[C@@H](C)Br.
What is the InChIKey of (2R,4S)-2,4-dibromopentan-3-one?
The InChIKey is UOPIOAUZQKSZRO-ZXZARUISSA-N. The full InChI is InChI=1S/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+.
What are the key properties of (2R,4S)-2,4-dibromopentan-3-one?
(2R,4S)-2,4-dibromopentan-3-one has a molecular weight of 243.93 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dibromopentan-3-one is sourced from PubChem (CID 7567036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).