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

C7H16ClO2P — CID 71392643

IUPAC2-[2-chloroethyl(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(CCCl)C(C)C
InChIInChI=1S/C7H16ClO2P/c1-4-10-11(9,6-5-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyGJNCUBDZFZEGSY-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.95
Rot. Bonds5

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

2-[2-chloroethyl(ethoxy)phosphoryl]propane (PubChem CID 71392643) has the molecular formula C7H16ClO2P and a molecular weight of 198.63 g/mol. Its IUPAC name is 2-[2-chloroethyl(ethoxy)phosphoryl]propane.

Molecular Properties

Compound Name2-[2-chloroethyl(ethoxy)phosphoryl]propane
PubChem CID71392643
Molecular FormulaC7H16ClO2P
Molecular Weight198.63 g/mol
Exact Mass198.06
IUPAC Name2-[2-chloroethyl(ethoxy)phosphoryl]propane
SMILESCCOP(=O)(CCCl)C(C)C
InChIInChI=1S/C7H16ClO2P/c1-4-10-11(9,6-5-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyGJNCUBDZFZEGSY-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.95
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

1-[ethoxy(propan-2-yl)phosphoryl]-3-methylbutan-2-one
CID 168722205
ethyl 3-[1-chloroethyl(ethoxy)phosphoryl]propanoate
CID 117062355
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
copper;diethyl hydrogen phosphate
CID 174593393
N'-[ethoxy(propan-2-yl)phosphoryl]-N-methylethane-1,2-diamine
CID 88586309
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
CID 10330081
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
1-[1-aminoethyl(ethoxy)phosphoryl]ethanamine;hydrochloride
CID 22415619
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloroethyl(ethoxy)phosphoryl]propane?
The IUPAC name of 2-[2-chloroethyl(ethoxy)phosphoryl]propane (CID 71392643) is 2-[2-chloroethyl(ethoxy)phosphoryl]propane.
What is the SMILES notation for 2-[2-chloroethyl(ethoxy)phosphoryl]propane?
The canonical SMILES for 2-[2-chloroethyl(ethoxy)phosphoryl]propane is CCOP(=O)(CCCl)C(C)C.
What is the InChIKey of 2-[2-chloroethyl(ethoxy)phosphoryl]propane?
The InChIKey is GJNCUBDZFZEGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClO2P/c1-4-10-11(9,6-5-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-[2-chloroethyl(ethoxy)phosphoryl]propane?
2-[2-chloroethyl(ethoxy)phosphoryl]propane has a molecular weight of 198.63 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloroethyl(ethoxy)phosphoryl]propane is sourced from PubChem (CID 71392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).