chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride

C5H12Cl3P — CID 174764447

IUPACchloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride
SMILESCC(C)P(Cl)C(C)Cl.Cl
InChIInChI=1S/C5H11Cl2P.ClH/c1-4(2)8(7)5(3)6;/h4-5H,1-3H3;1H
InChIKeyRMYPPVLEDGJZTD-UHFFFAOYSA-N
MW209.48 g/mol
LogP4.04
Rot. Bonds2

About chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride

chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride (PubChem CID 174764447) has the molecular formula C5H12Cl3P and a molecular weight of 209.48 g/mol. Its IUPAC name is chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride.

Molecular Properties

Compound Namechloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride
PubChem CID174764447
Molecular FormulaC5H12Cl3P
Molecular Weight209.48 g/mol
Exact Mass207.97
IUPAC Namechloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride
SMILESCC(C)P(Cl)C(C)Cl.Cl
InChIInChI=1S/C5H11Cl2P.ClH/c1-4(2)8(7)5(3)6;/h4-5H,1-3H3;1H
InChIKeyRMYPPVLEDGJZTD-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride?
The IUPAC name of chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride (CID 174764447) is chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride.
What is the SMILES notation for chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride?
The canonical SMILES for chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride is CC(C)P(Cl)C(C)Cl.Cl.
What is the InChIKey of chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride?
The InChIKey is RMYPPVLEDGJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2P.ClH/c1-4(2)8(7)5(3)6;/h4-5H,1-3H3;1H.
What are the key properties of chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride?
chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride has a molecular weight of 209.48 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1-chloroethyl)-propan-2-ylphosphane;hydrochloride is sourced from PubChem (CID 174764447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).