2-chloro-2-[chloro(ethoxy)phosphoryl]propane

C5H11Cl2O2P — CID 10703408

IUPAC2-chloro-2-[chloro(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(Cl)C(C)(C)Cl
InChIInChI=1S/C5H11Cl2O2P/c1-4-9-10(7,8)5(2,3)6/h4H2,1-3H3
InChIKeySFFSGUGLYWNCKD-UHFFFAOYSA-N
MW205.02 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-2-[chloro(ethoxy)phosphoryl]propane

2-chloro-2-[chloro(ethoxy)phosphoryl]propane (PubChem CID 10703408) has the molecular formula C5H11Cl2O2P and a molecular weight of 205.02 g/mol. Its IUPAC name is 2-chloro-2-[chloro(ethoxy)phosphoryl]propane.

Molecular Properties

Compound Name2-chloro-2-[chloro(ethoxy)phosphoryl]propane
PubChem CID10703408
Molecular FormulaC5H11Cl2O2P
Molecular Weight205.02 g/mol
Exact Mass203.99
IUPAC Name2-chloro-2-[chloro(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(Cl)C(C)(C)Cl
InChIInChI=1S/C5H11Cl2O2P/c1-4-9-10(7,8)5(2,3)6/h4H2,1-3H3
InChIKeySFFSGUGLYWNCKD-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-chloro-2-[chloro(ethoxy)phosphoryl]propane?
The IUPAC name of 2-chloro-2-[chloro(ethoxy)phosphoryl]propane (CID 10703408) is 2-chloro-2-[chloro(ethoxy)phosphoryl]propane.
What is the SMILES notation for 2-chloro-2-[chloro(ethoxy)phosphoryl]propane?
The canonical SMILES for 2-chloro-2-[chloro(ethoxy)phosphoryl]propane is CCOP(=O)(Cl)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2-[chloro(ethoxy)phosphoryl]propane?
The InChIKey is SFFSGUGLYWNCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O2P/c1-4-9-10(7,8)5(2,3)6/h4H2,1-3H3.
What are the key properties of 2-chloro-2-[chloro(ethoxy)phosphoryl]propane?
2-chloro-2-[chloro(ethoxy)phosphoryl]propane has a molecular weight of 205.02 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[chloro(ethoxy)phosphoryl]propane is sourced from PubChem (CID 10703408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).