3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane

C6H12Cl4NO3P — CID 139367377

IUPAC3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane
SMILESNP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl
InChIInChI=1S/C6H12Cl4NO3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2,(H2,11,12)
InChIKeyURRODVHNLWJJJR-UHFFFAOYSA-N
MW318.95 g/mol
LogP3.47
Rot. Bonds8

About 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane

3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane (PubChem CID 139367377) has the molecular formula C6H12Cl4NO3P and a molecular weight of 318.95 g/mol. Its IUPAC name is 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane.

Molecular Properties

Compound Name3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane
PubChem CID139367377
Molecular FormulaC6H12Cl4NO3P
Molecular Weight318.95 g/mol
Exact Mass316.93
IUPAC Name3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane
SMILESNP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl
InChIInChI=1S/C6H12Cl4NO3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2,(H2,11,12)
InChIKeyURRODVHNLWJJJR-UHFFFAOYSA-N
XLogP3.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.95
LogP ≤ 53.47
H-Bond Donors ≤ 51
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

1,1-dichloro-3-[chloro(3,3-dichloropropoxy)phosphoryl]oxypropane
CID 142627107
N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 175408582
3,3-dichloropropylphosphonic acid
CID 91996618
chlorosilane;3,3-dichloropropyl prop-2-enoate
CID 173094575
2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile
CID 91162752
1-[amino(butoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 146414933
2-chloroethoxyphosphonamidic acid
CID 154086077
5,5-dichloropentyl acetate
CID 57290861
1,1,6,6-tetrachlorohexane
CID 87407260
8-[amino(butoxy)phosphoryl]oxy-1-[amino(pentan-3-yloxy)phosphoryl]oxynonane
CID 178039974
CID 88751239
CID 88751239
sodium;3,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174223594

Frequently Asked Questions

What is the IUPAC name of 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane?
The IUPAC name of 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane (CID 139367377) is 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane.
What is the SMILES notation for 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane?
The canonical SMILES for 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane is NP(=O)(OCCC(Cl)Cl)OCCC(Cl)Cl.
What is the InChIKey of 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane?
The InChIKey is URRODVHNLWJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl4NO3P/c7-5(8)1-3-13-15(11,12)14-4-2-6(9)10/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane?
3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane has a molecular weight of 318.95 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(3,3-dichloropropoxy)phosphoryl]oxy-1,1-dichloropropane is sourced from PubChem (CID 139367377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).