1-chloro-1-[chloro(ethoxy)phosphoryl]propane

C5H11Cl2O2P — CID 10560154

IUPAC1-chloro-1-[chloro(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(Cl)C(Cl)CC
InChIInChI=1S/C5H11Cl2O2P/c1-3-5(6)10(7,8)9-4-2/h5H,3-4H2,1-2H3
InChIKeyLMWZYKYUSJQIPC-UHFFFAOYSA-N
MW205.02 g/mol
LogP3.43
Rot. Bonds4

About 1-chloro-1-[chloro(ethoxy)phosphoryl]propane

1-chloro-1-[chloro(ethoxy)phosphoryl]propane (PubChem CID 10560154) has the molecular formula C5H11Cl2O2P and a molecular weight of 205.02 g/mol. Its IUPAC name is 1-chloro-1-[chloro(ethoxy)phosphoryl]propane.

Molecular Properties

Compound Name1-chloro-1-[chloro(ethoxy)phosphoryl]propane
PubChem CID10560154
Molecular FormulaC5H11Cl2O2P
Molecular Weight205.02 g/mol
Exact Mass203.99
IUPAC Name1-chloro-1-[chloro(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(Cl)C(Cl)CC
InChIInChI=1S/C5H11Cl2O2P/c1-3-5(6)10(7,8)9-4-2/h5H,3-4H2,1-2H3
InChIKeyLMWZYKYUSJQIPC-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[chloro(ethoxy)phosphoryl]propane?
The IUPAC name of 1-chloro-1-[chloro(ethoxy)phosphoryl]propane (CID 10560154) is 1-chloro-1-[chloro(ethoxy)phosphoryl]propane.
What is the SMILES notation for 1-chloro-1-[chloro(ethoxy)phosphoryl]propane?
The canonical SMILES for 1-chloro-1-[chloro(ethoxy)phosphoryl]propane is CCOP(=O)(Cl)C(Cl)CC.
What is the InChIKey of 1-chloro-1-[chloro(ethoxy)phosphoryl]propane?
The InChIKey is LMWZYKYUSJQIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O2P/c1-3-5(6)10(7,8)9-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-chloro-1-[chloro(ethoxy)phosphoryl]propane?
1-chloro-1-[chloro(ethoxy)phosphoryl]propane has a molecular weight of 205.02 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[chloro(ethoxy)phosphoryl]propane is sourced from PubChem (CID 10560154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).