1-chloro-1-phosphorosoethane;dihydrochloride

C2H6Cl3OP — CID 174698766

IUPAC1-chloro-1-phosphorosoethane;dihydrochloride
SMILESCC(Cl)P=O.Cl.Cl
InChIInChI=1S/C2H4ClOP.2ClH/c1-2(3)5-4;;/h2H,1H3;2*1H
InChIKeyAALZCNSOGZPRKE-UHFFFAOYSA-N
MW183.40 g/mol
LogP2.71
Rot. Bonds1

About 1-chloro-1-phosphorosoethane;dihydrochloride

1-chloro-1-phosphorosoethane;dihydrochloride (PubChem CID 174698766) has the molecular formula C2H6Cl3OP and a molecular weight of 183.40 g/mol. Its IUPAC name is 1-chloro-1-phosphorosoethane;dihydrochloride.

Molecular Properties

Compound Name1-chloro-1-phosphorosoethane;dihydrochloride
PubChem CID174698766
Molecular FormulaC2H6Cl3OP
Molecular Weight183.40 g/mol
Exact Mass181.92
IUPAC Name1-chloro-1-phosphorosoethane;dihydrochloride
SMILESCC(Cl)P=O.Cl.Cl
InChIInChI=1S/C2H4ClOP.2ClH/c1-2(3)5-4;;/h2H,1H3;2*1H
InChIKeyAALZCNSOGZPRKE-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.40
LogP ≤ 52.71
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'}

Analyze 1-chloro-1-phosphorosoethane;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloro(trimethyl)phosphanium
CID 15830224
CID 174442561
CID 174442561
1-chloro-1-[(1R)-1-chloroethyl]sulfanylethane
CID 87373874
magnesium;2-chloropropane;dichloride
CID 158508799
CID 118356908
CID 118356908
2,2,4-trimethyl-3-phosphorosopentane
CID 54194977
bis(2-methylpropane);dihydrochloride
CID 174914375
lithium;magnesium;2-chloropropane;trichloride
CID 175456910
bromo-chloro-dimethylphosphanium
CID 23415191
(1R)-1-bromo-1-chloroethane
CID 96570687
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
dichloro-methyl-sulfanylphosphanium
CID 88580697

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-phosphorosoethane;dihydrochloride?
The IUPAC name of 1-chloro-1-phosphorosoethane;dihydrochloride (CID 174698766) is 1-chloro-1-phosphorosoethane;dihydrochloride.
What is the SMILES notation for 1-chloro-1-phosphorosoethane;dihydrochloride?
The canonical SMILES for 1-chloro-1-phosphorosoethane;dihydrochloride is CC(Cl)P=O.Cl.Cl.
What is the InChIKey of 1-chloro-1-phosphorosoethane;dihydrochloride?
The InChIKey is AALZCNSOGZPRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClOP.2ClH/c1-2(3)5-4;;/h2H,1H3;2*1H.
What are the key properties of 1-chloro-1-phosphorosoethane;dihydrochloride?
1-chloro-1-phosphorosoethane;dihydrochloride has a molecular weight of 183.40 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-phosphorosoethane;dihydrochloride is sourced from PubChem (CID 174698766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).