phosphanyl 2-bromopropanoate

C3H6BrO2P — CID 22086776

IUPACphosphanyl 2-bromopropanoate
SMILESCC(Br)C(=O)OP
InChIInChI=1S/C3H6BrO2P/c1-2(4)3(5)6-7/h2H,7H2,1H3
InChIKeyXQDMUJAICBGBOD-UHFFFAOYSA-N
MW184.96 g/mol
LogP1.10
Rot. Bonds1

About phosphanyl 2-bromopropanoate

phosphanyl 2-bromopropanoate (PubChem CID 22086776) has the molecular formula C3H6BrO2P and a molecular weight of 184.96 g/mol. Its IUPAC name is phosphanyl 2-bromopropanoate.

Molecular Properties

Compound Namephosphanyl 2-bromopropanoate
PubChem CID22086776
Molecular FormulaC3H6BrO2P
Molecular Weight184.96 g/mol
Exact Mass183.93
IUPAC Namephosphanyl 2-bromopropanoate
SMILESCC(Br)C(=O)OP
InChIInChI=1S/C3H6BrO2P/c1-2(4)3(5)6-7/h2H,7H2,1H3
InChIKeyXQDMUJAICBGBOD-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.96
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
ethyl (2R)-2-bromopropanoate
CID 7003709
calcium;hydride;phosphanyl 2-hydroxypropanoate
CID 174498775
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
tert-butyl (2S)-2-bromopropanoate
CID 12882378
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
[3-(2-bromopropanoyloxy)-2,2-bis(2-bromopropanoyloxymethyl)propyl] 2-bromopropanoate
CID 20826094
propanoyl 2-bromopropanoate
CID 87180539
(2S)-2-bromopropanoic acid
CID 642232
(2R,4S)-2,4-dibromopentan-3-one
CID 7567036
2-bromopropanoic acid;methoxymethane
CID 159963674

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-bromopropanoate?
The IUPAC name of phosphanyl 2-bromopropanoate (CID 22086776) is phosphanyl 2-bromopropanoate.
What is the SMILES notation for phosphanyl 2-bromopropanoate?
The canonical SMILES for phosphanyl 2-bromopropanoate is CC(Br)C(=O)OP.
What is the InChIKey of phosphanyl 2-bromopropanoate?
The InChIKey is XQDMUJAICBGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrO2P/c1-2(4)3(5)6-7/h2H,7H2,1H3.
What are the key properties of phosphanyl 2-bromopropanoate?
phosphanyl 2-bromopropanoate has a molecular weight of 184.96 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-bromopropanoate is sourced from PubChem (CID 22086776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).