1-dichlorophosphoryloxypropane

C3H7Cl2O2P — CID 517771

IUPAC1-dichlorophosphoryloxypropane
SMILESCCCOP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyYTXISYSGCBTCGY-UHFFFAOYSA-N
MW176.97 g/mol
LogP3.00
Rot. Bonds3

About 1-dichlorophosphoryloxypropane

1-dichlorophosphoryloxypropane (PubChem CID 517771) has the molecular formula C3H7Cl2O2P and a molecular weight of 176.97 g/mol. Its IUPAC name is 1-dichlorophosphoryloxypropane.

Molecular Properties

Compound Name1-dichlorophosphoryloxypropane
PubChem CID517771
Molecular FormulaC3H7Cl2O2P
Molecular Weight176.97 g/mol
Exact Mass175.96
IUPAC Name1-dichlorophosphoryloxypropane
SMILESCCCOP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyYTXISYSGCBTCGY-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.97
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl dichlorophosphate
CID 15158
n-Butylphosphorodichloridate
CID 137039
Dipropyl chlorophosphate
CID 137622
Phosphoethanol
CID 6857927
Isopropyl phosphorodichloridate
CID 536582
O-methyl methylchloro-phosphonate
CID 14957583
Phosphopropanol
CID 6368229
(Phosphorosooxy)ethane
CID 11126182
Ethyl methyl chlorophosphonate
CID 12705480
Propylphosphanate
CID 19931623
O-ethyl methylchlorophosphonate
CID 53916575
CID 12691394
CID 12691394

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxypropane?
The IUPAC name of 1-dichlorophosphoryloxypropane (CID 517771) is 1-dichlorophosphoryloxypropane.
What is the SMILES notation for 1-dichlorophosphoryloxypropane?
The canonical SMILES for 1-dichlorophosphoryloxypropane is CCCOP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryloxypropane?
The InChIKey is YTXISYSGCBTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2O2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3.
What are the key properties of 1-dichlorophosphoryloxypropane?
1-dichlorophosphoryloxypropane has a molecular weight of 176.97 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxypropane is sourced from PubChem (CID 517771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).