2-chloroethyl(dimethyl)phosphane

C4H10ClP — CID 87489908

IUPAC2-chloroethyl(dimethyl)phosphane
SMILESCP(C)CCCl
InChIInChI=1S/C4H10ClP/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyCFBBSPMKPFYJKY-UHFFFAOYSA-N
MW124.55 g/mol
LogP1.97
Rot. Bonds2

About 2-chloroethyl(dimethyl)phosphane

2-chloroethyl(dimethyl)phosphane (PubChem CID 87489908) has the molecular formula C4H10ClP and a molecular weight of 124.55 g/mol. Its IUPAC name is 2-chloroethyl(dimethyl)phosphane.

Molecular Properties

Compound Name2-chloroethyl(dimethyl)phosphane
PubChem CID87489908
Molecular FormulaC4H10ClP
Molecular Weight124.55 g/mol
Exact Mass124.02
IUPAC Name2-chloroethyl(dimethyl)phosphane
SMILESCP(C)CCCl
InChIInChI=1S/C4H10ClP/c1-6(2)4-3-5/h3-4H2,1-2H3
InChIKeyCFBBSPMKPFYJKY-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.55
LogP ≤ 51.97
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 2-chloroethyl(dimethyl)phosphane?
The IUPAC name of 2-chloroethyl(dimethyl)phosphane (CID 87489908) is 2-chloroethyl(dimethyl)phosphane.
What is the SMILES notation for 2-chloroethyl(dimethyl)phosphane?
The canonical SMILES for 2-chloroethyl(dimethyl)phosphane is CP(C)CCCl.
What is the InChIKey of 2-chloroethyl(dimethyl)phosphane?
The InChIKey is CFBBSPMKPFYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClP/c1-6(2)4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-chloroethyl(dimethyl)phosphane?
2-chloroethyl(dimethyl)phosphane has a molecular weight of 124.55 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl(dimethyl)phosphane is sourced from PubChem (CID 87489908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).