tert-butyl(chloro)phosphane

C4H10ClP — CID 16688342

IUPACtert-butyl(chloro)phosphane
SMILESCC(C)(C)PCl
InChIInChI=1S/C4H10ClP/c1-4(2,3)6-5/h6H,1-3H3
InChIKeyQWYBBFJHYFDPIL-UHFFFAOYSA-N
MW124.55 g/mol
LogP2.62
Rot. Bonds

About tert-butyl(chloro)phosphane

tert-butyl(chloro)phosphane (PubChem CID 16688342) has the molecular formula C4H10ClP and a molecular weight of 124.55 g/mol. Its IUPAC name is tert-butyl(chloro)phosphane.

Molecular Properties

Compound Nametert-butyl(chloro)phosphane
PubChem CID16688342
Molecular FormulaC4H10ClP
Molecular Weight124.55 g/mol
Exact Mass124.02
IUPAC Nametert-butyl(chloro)phosphane
SMILESCC(C)(C)PCl
InChIInChI=1S/C4H10ClP/c1-4(2,3)6-5/h6H,1-3H3
InChIKeyQWYBBFJHYFDPIL-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.55
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(chloro)phosphane?
The IUPAC name of tert-butyl(chloro)phosphane (CID 16688342) is tert-butyl(chloro)phosphane.
What is the SMILES notation for tert-butyl(chloro)phosphane?
The canonical SMILES for tert-butyl(chloro)phosphane is CC(C)(C)PCl.
What is the InChIKey of tert-butyl(chloro)phosphane?
The InChIKey is QWYBBFJHYFDPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClP/c1-4(2,3)6-5/h6H,1-3H3.
What are the key properties of tert-butyl(chloro)phosphane?
tert-butyl(chloro)phosphane has a molecular weight of 124.55 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(chloro)phosphane is sourced from PubChem (CID 16688342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).