N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine

C10H20Cl2NO2P — CID 13110582

IUPACN-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine
SMILESCCCOP(OC(C)=C(Cl)Cl)N(CC)CC
InChIInChI=1S/C10H20Cl2NO2P/c1-5-8-14-16(13(6-2)7-3)15-9(4)10(11)12/h5-8H2,1-4H3
InChIKeyZKGZWQAHTABBDX-UHFFFAOYSA-N
MW288.16 g/mol
LogP4.66
Rot. Bonds8

About N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine

N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine (PubChem CID 13110582) has the molecular formula C10H20Cl2NO2P and a molecular weight of 288.16 g/mol. Its IUPAC name is N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine
PubChem CID13110582
Molecular FormulaC10H20Cl2NO2P
Molecular Weight288.16 g/mol
Exact Mass287.06
IUPAC NameN-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine
SMILESCCCOP(OC(C)=C(Cl)Cl)N(CC)CC
InChIInChI=1S/C10H20Cl2NO2P/c1-5-8-14-16(13(6-2)7-3)15-9(4)10(11)12/h5-8H2,1-4H3
InChIKeyZKGZWQAHTABBDX-UHFFFAOYSA-N
XLogP4.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine (CID 13110582) is N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine is CCCOP(OC(C)=C(Cl)Cl)N(CC)CC.
What is the InChIKey of N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine?
The InChIKey is ZKGZWQAHTABBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2NO2P/c1-5-8-14-16(13(6-2)7-3)15-9(4)10(11)12/h5-8H2,1-4H3.
What are the key properties of N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine?
N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine has a molecular weight of 288.16 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dichloroprop-1-en-2-yloxy(propoxy)phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 13110582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).