2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine

C4H8Cl2NOP — CID 20605142

IUPAC2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine
SMILESO=PN(CCCl)CCCl
InChIInChI=1S/C4H8Cl2NOP/c5-1-3-7(9-8)4-2-6/h1-4H2
InChIKeyRFIJYCPTPZIBJA-UHFFFAOYSA-N
MW187.99 g/mol
LogP1.97
Rot. Bonds5

About 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine

2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine (PubChem CID 20605142) has the molecular formula C4H8Cl2NOP and a molecular weight of 187.99 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine
PubChem CID20605142
Molecular FormulaC4H8Cl2NOP
Molecular Weight187.99 g/mol
Exact Mass186.97
IUPAC Name2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine
SMILESO=PN(CCCl)CCCl
InChIInChI=1S/C4H8Cl2NOP/c5-1-3-7(9-8)4-2-6/h1-4H2
InChIKeyRFIJYCPTPZIBJA-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.99
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine (CID 20605142) is 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine is O=PN(CCCl)CCCl.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine?
The InChIKey is RFIJYCPTPZIBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2NOP/c5-1-3-7(9-8)4-2-6/h1-4H2.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine?
2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine has a molecular weight of 187.99 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-phosphorosoethanamine is sourced from PubChem (CID 20605142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).