3-[chloro(methyl)phosphoryl]propanoyl chloride

C4H7Cl2O2P — CID 10943248

IUPAC3-[chloro(methyl)phosphoryl]propanoyl chloride
SMILESCP(=O)(Cl)CCC(=O)Cl
InChIInChI=1S/C4H7Cl2O2P/c1-9(6,8)3-2-4(5)7/h2-3H2,1H3
InChIKeySGGKZWABPPXBNE-UHFFFAOYSA-N
MW188.98 g/mol
LogP2.29
Rot. Bonds3

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

3-[chloro(methyl)phosphoryl]propanoyl chloride (PubChem CID 10943248) has the molecular formula C4H7Cl2O2P and a molecular weight of 188.98 g/mol. Its IUPAC name is 3-[chloro(methyl)phosphoryl]propanoyl chloride.

Molecular Properties

Compound Name3-[chloro(methyl)phosphoryl]propanoyl chloride
PubChem CID10943248
Molecular FormulaC4H7Cl2O2P
Molecular Weight188.98 g/mol
Exact Mass187.96
IUPAC Name3-[chloro(methyl)phosphoryl]propanoyl chloride
SMILESCP(=O)(Cl)CCC(=O)Cl
InChIInChI=1S/C4H7Cl2O2P/c1-9(6,8)3-2-4(5)7/h2-3H2,1H3
InChIKeySGGKZWABPPXBNE-UHFFFAOYSA-N
XLogP2.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.98
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(methyl)phosphoryl]propanoyl chloride?
The IUPAC name of 3-[chloro(methyl)phosphoryl]propanoyl chloride (CID 10943248) is 3-[chloro(methyl)phosphoryl]propanoyl chloride.
What is the SMILES notation for 3-[chloro(methyl)phosphoryl]propanoyl chloride?
The canonical SMILES for 3-[chloro(methyl)phosphoryl]propanoyl chloride is CP(=O)(Cl)CCC(=O)Cl.
What is the InChIKey of 3-[chloro(methyl)phosphoryl]propanoyl chloride?
The InChIKey is SGGKZWABPPXBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O2P/c1-9(6,8)3-2-4(5)7/h2-3H2,1H3.
What are the key properties of 3-[chloro(methyl)phosphoryl]propanoyl chloride?
3-[chloro(methyl)phosphoryl]propanoyl chloride has a molecular weight of 188.98 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(methyl)phosphoryl]propanoyl chloride is sourced from PubChem (CID 10943248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).