tris(2-chloroethyl) phosphite

C6H12Cl3O3P — CID 8783

IUPACtris(2-chloroethyl) phosphite
SMILESClCCOP(OCCCl)OCCCl
InChIInChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
InChIKeyLUVCTYHBTXSAMX-UHFFFAOYSA-N
MW269.49 g/mol
LogP2.98
Rot. Bonds9

About tris(2-chloroethyl) phosphite

tris(2-chloroethyl) phosphite (PubChem CID 8783) has the molecular formula C6H12Cl3O3P and a molecular weight of 269.49 g/mol. Its IUPAC name is tris(2-chloroethyl) phosphite.

Molecular Properties

Compound Nametris(2-chloroethyl) phosphite
PubChem CID8783
Molecular FormulaC6H12Cl3O3P
Molecular Weight269.49 g/mol
Exact Mass267.96
IUPAC Nametris(2-chloroethyl) phosphite
SMILESClCCOP(OCCCl)OCCCl
InChIInChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2
InChIKeyLUVCTYHBTXSAMX-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tris(2-chloroethyl) phosphate
CID 8295
Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
CID 80518
Bis(2-chloroethyl) phosphate
CID 76438
Bis(2-chloroethyl) phosphite
CID 6336390
O,O,O-Tris(2-chloroethyl) phosphorothioate
CID 82479
Bis(2-chloroethyl) methylphosphonate
CID 5018110
Phosphorous acid, 2-chloroethyl cyclic ethylene ester
CID 200984
Bis(2-chloroethyl) phosphonate
CID 70611
Copper, chloro(tris(2-chloroethyl) phosphite-kappaP)-
CID 92002870
Bis(2-chloroethyl) chlorophosphate
CID 80182
Bis(2-chloroethyl) chlorophosphite
CID 15518883
Tris(2-chloropropyl) phosphite
CID 110790

Frequently Asked Questions

What is the IUPAC name of tris(2-chloroethyl) phosphite?
The IUPAC name of tris(2-chloroethyl) phosphite (CID 8783) is tris(2-chloroethyl) phosphite.
What is the SMILES notation for tris(2-chloroethyl) phosphite?
The canonical SMILES for tris(2-chloroethyl) phosphite is ClCCOP(OCCCl)OCCCl.
What is the InChIKey of tris(2-chloroethyl) phosphite?
The InChIKey is LUVCTYHBTXSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2.
What are the key properties of tris(2-chloroethyl) phosphite?
tris(2-chloroethyl) phosphite has a molecular weight of 269.49 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chloroethyl) phosphite is sourced from PubChem (CID 8783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).