2-dichlorophosphoryloxypropane

C3H7Cl2O2P — CID 536582

IUPAC2-dichlorophosphoryloxypropane
SMILESCC(C)OP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyXAWJSDHWXDVXDH-UHFFFAOYSA-N
MW176.97 g/mol
LogP3.00
Rot. Bonds2

About 2-dichlorophosphoryloxypropane

2-dichlorophosphoryloxypropane (PubChem CID 536582) has the molecular formula C3H7Cl2O2P and a molecular weight of 176.97 g/mol. Its IUPAC name is 2-dichlorophosphoryloxypropane.

Molecular Properties

Compound Name2-dichlorophosphoryloxypropane
PubChem CID536582
Molecular FormulaC3H7Cl2O2P
Molecular Weight176.97 g/mol
Exact Mass175.96
IUPAC Name2-dichlorophosphoryloxypropane
SMILESCC(C)OP(=O)(Cl)Cl
InChIInChI=1S/C3H7Cl2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyXAWJSDHWXDVXDH-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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
Diisopropyl Phosphorochloridate
CID 164989
Phosphoric acid, 1-methylethyl ester
CID 12691406
Phosphorodichloridic acid, propyl ester
CID 517771
Oxido-oxo-propan-2-yloxyphosphanium
CID 6383949
Isopropyl phosphanate
CID 10920462
2-[Chloro(fluoro)phosphoryl]oxypropane
CID 130422726
Chloro fluoro propan-2-yl phosphate
CID 130422727
2-Dichlorophosphoryloxy-1,1,1-trifluoropropane
CID 13681428
Chloro(propan-2-yloxy)phosphinic acid
CID 14957584
(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane
CID 18643664
2-[Chloro(ethoxy)phosphoryl]oxypropane
CID 19601295

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphoryloxypropane?
The IUPAC name of 2-dichlorophosphoryloxypropane (CID 536582) is 2-dichlorophosphoryloxypropane.
What is the SMILES notation for 2-dichlorophosphoryloxypropane?
The canonical SMILES for 2-dichlorophosphoryloxypropane is CC(C)OP(=O)(Cl)Cl.
What is the InChIKey of 2-dichlorophosphoryloxypropane?
The InChIKey is XAWJSDHWXDVXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl2O2P/c1-3(2)7-8(4,5)6/h3H,1-2H3.
What are the key properties of 2-dichlorophosphoryloxypropane?
2-dichlorophosphoryloxypropane has a molecular weight of 176.97 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphoryloxypropane is sourced from PubChem (CID 536582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).