3-[chloro(ethyl)phosphoryl]propanoyl chloride

C5H9Cl2O2P — CID 2785341

IUPAC3-[chloro(ethyl)phosphoryl]propanoyl chloride
SMILESCCP(=O)(Cl)CCC(=O)Cl
InChIInChI=1S/C5H9Cl2O2P/c1-2-10(7,9)4-3-5(6)8/h2-4H2,1H3
InChIKeyGRNZQINGIYXHDA-UHFFFAOYSA-N
MW203.00 g/mol
LogP2.68
Rot. Bonds4

About 3-[chloro(ethyl)phosphoryl]propanoyl chloride

3-[chloro(ethyl)phosphoryl]propanoyl chloride (PubChem CID 2785341) has the molecular formula C5H9Cl2O2P and a molecular weight of 203.00 g/mol. Its IUPAC name is 3-[chloro(ethyl)phosphoryl]propanoyl chloride.

Molecular Properties

Compound Name3-[chloro(ethyl)phosphoryl]propanoyl chloride
PubChem CID2785341
Molecular FormulaC5H9Cl2O2P
Molecular Weight203.00 g/mol
Exact Mass201.97
IUPAC Name3-[chloro(ethyl)phosphoryl]propanoyl chloride
SMILESCCP(=O)(Cl)CCC(=O)Cl
InChIInChI=1S/C5H9Cl2O2P/c1-2-10(7,9)4-3-5(6)8/h2-4H2,1H3
InChIKeyGRNZQINGIYXHDA-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.00
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro(methyl)phosphoryl]propanoyl chloride
CID 10943248
butyl-(3-chloro-3-oxopropyl)phosphinic acid;hydrochloride
CID 88803744
(3-chloro-3-oxopropyl)-hexylphosphinic acid;hydrochloride
CID 88803274
butanoyl chloride;hydroiodide
CID 162309857
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
(3-chloro-3-oxopropyl)-ethenylphosphinic acid;hydrochloride
CID 88803334
pentanoyl chloride;hydrofluoride
CID 174423538
3-(methylamino)propanoyl chloride
CID 21027253
nonadecanoyl chloride
CID 4250939
butanoyl chloride;(1-hydroxy-1-phosphonobutyl)phosphonic acid
CID 159887147
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
3-(diethylamino)propanoyl chloride;hydrochloride
CID 18975499

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(ethyl)phosphoryl]propanoyl chloride?
The IUPAC name of 3-[chloro(ethyl)phosphoryl]propanoyl chloride (CID 2785341) is 3-[chloro(ethyl)phosphoryl]propanoyl chloride.
What is the SMILES notation for 3-[chloro(ethyl)phosphoryl]propanoyl chloride?
The canonical SMILES for 3-[chloro(ethyl)phosphoryl]propanoyl chloride is CCP(=O)(Cl)CCC(=O)Cl.
What is the InChIKey of 3-[chloro(ethyl)phosphoryl]propanoyl chloride?
The InChIKey is GRNZQINGIYXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O2P/c1-2-10(7,9)4-3-5(6)8/h2-4H2,1H3.
What are the key properties of 3-[chloro(ethyl)phosphoryl]propanoyl chloride?
3-[chloro(ethyl)phosphoryl]propanoyl chloride has a molecular weight of 203.00 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(ethyl)phosphoryl]propanoyl chloride is sourced from PubChem (CID 2785341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).