2-chloroethyl-N-methylphosphonamidic acid;hydrochloride

C3H10Cl2NO2P — CID 88819662

IUPAC2-chloroethyl-N-methylphosphonamidic acid;hydrochloride
SMILESCNP(=O)(O)CCCl.Cl
InChIInChI=1S/C3H9ClNO2P.ClH/c1-5-8(6,7)3-2-4;/h2-3H2,1H3,(H2,5,6,7);1H
InChIKeyPIJXPOIMVYIAAL-UHFFFAOYSA-N
MW194.00 g/mol
LogP1.05
Rot. Bonds3

About 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride

2-chloroethyl-N-methylphosphonamidic acid;hydrochloride (PubChem CID 88819662) has the molecular formula C3H10Cl2NO2P and a molecular weight of 194.00 g/mol. Its IUPAC name is 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride.

Molecular Properties

Compound Name2-chloroethyl-N-methylphosphonamidic acid;hydrochloride
PubChem CID88819662
Molecular FormulaC3H10Cl2NO2P
Molecular Weight194.00 g/mol
Exact Mass192.98
IUPAC Name2-chloroethyl-N-methylphosphonamidic acid;hydrochloride
SMILESCNP(=O)(O)CCCl.Cl
InChIInChI=1S/C3H9ClNO2P.ClH/c1-5-8(6,7)3-2-4;/h2-3H2,1H3,(H2,5,6,7);1H
InChIKeyPIJXPOIMVYIAAL-UHFFFAOYSA-N
XLogP1.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.00
LogP ≤ 51.05
H-Bond Donors ≤ 52
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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Related Compounds

bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663
N-(2-chloroethyl)-methylphosphonamidic acid
CID 58265802
3,3-dimethylbutylphosphonic acid
CID 15402429
sodium;hydride;methyl(methylaminomethyl)phosphinic acid
CID 173239428
dichloromethane;methane;phosphoric acid
CID 174721529
2-(ethylamino)ethylphosphonic acid
CID 12557409
2-chloroethanamine;ethylphosphonic acid
CID 87993583
methylphosphonic acid;dihydrochloride
CID 87344491
1,6-dichloro-3,4-bis(2-chloroethyl)hex-3-ene;phosphoric acid
CID 87060109
2-chloroethylphosphonic acid;tris(butylsulfanyl)phosphane
CID 138469903
ethoxy-N-methylphosphonamidic acid
CID 20842965
1-chloroicosane;phosphoric acid
CID 174813023

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride?
The IUPAC name of 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride (CID 88819662) is 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride.
What is the SMILES notation for 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride?
The canonical SMILES for 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride is CNP(=O)(O)CCCl.Cl.
What is the InChIKey of 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride?
The InChIKey is PIJXPOIMVYIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClNO2P.ClH/c1-5-8(6,7)3-2-4;/h2-3H2,1H3,(H2,5,6,7);1H.
What are the key properties of 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride?
2-chloroethyl-N-methylphosphonamidic acid;hydrochloride has a molecular weight of 194.00 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-N-methylphosphonamidic acid;hydrochloride is sourced from PubChem (CID 88819662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).