3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene

C5H8Cl3O2P — CID 10037184

IUPAC3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene
SMILESC=C(Cl)COP(=O)(CCl)CCl
InChIInChI=1S/C5H8Cl3O2P/c1-5(8)2-10-11(9,3-6)4-7/h1-4H2
InChIKeyDGGHRZPSYMAZQT-UHFFFAOYSA-N
MW237.45 g/mol
LogP3.43
Rot. Bonds5

About 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene

3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene (PubChem CID 10037184) has the molecular formula C5H8Cl3O2P and a molecular weight of 237.45 g/mol. Its IUPAC name is 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene.

Molecular Properties

Compound Name3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene
PubChem CID10037184
Molecular FormulaC5H8Cl3O2P
Molecular Weight237.45 g/mol
Exact Mass235.93
IUPAC Name3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene
SMILESC=C(Cl)COP(=O)(CCl)CCl
InChIInChI=1S/C5H8Cl3O2P/c1-5(8)2-10-11(9,3-6)4-7/h1-4H2
InChIKeyDGGHRZPSYMAZQT-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
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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Related Compounds

Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
3-[Bis(chloromethyl)phosphoryloxy]-2-fluoroprop-1-ene
CID 9991047
2-Propenyl bis(chloromethyl) phosphinate
CID 26572
2-Chloro-3-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]oxyprop-1-ene
CID 9970867
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
Tris(2-chloroprop-2-enyl) phosphate
CID 88471518
2-Chloroethoxy-oxo-prop-1-en-2-ylphosphanium
CID 88638572
Bis[(2,3-dichloroprop-2-en-1-yl)oxy](oxo)phosphanium
CID 71366129
Bis(2,3-dichloroprop-2-en-1-yl) (trichloromethyl)phosphonate
CID 71444816

Frequently Asked Questions

What is the IUPAC name of 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene?
The IUPAC name of 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene (CID 10037184) is 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene.
What is the SMILES notation for 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene?
The canonical SMILES for 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene is C=C(Cl)COP(=O)(CCl)CCl.
What is the InChIKey of 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene?
The InChIKey is DGGHRZPSYMAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl3O2P/c1-5(8)2-10-11(9,3-6)4-7/h1-4H2.
What are the key properties of 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene?
3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene has a molecular weight of 237.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(chloromethyl)phosphoryloxy]-2-chloroprop-1-ene is sourced from PubChem (CID 10037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).