bromo(tert-butyl)phosphane

C4H10BrP — CID 89315015

IUPACbromo(tert-butyl)phosphane
SMILESCC(C)(C)PBr
InChIInChI=1S/C4H10BrP/c1-4(2,3)6-5/h6H,1-3H3
InChIKeyJHAITVBQJBKJLB-UHFFFAOYSA-N
MW169.00 g/mol
LogP2.77
Rot. Bonds

About bromo(tert-butyl)phosphane

bromo(tert-butyl)phosphane (PubChem CID 89315015) has the molecular formula C4H10BrP and a molecular weight of 169.00 g/mol. Its IUPAC name is bromo(tert-butyl)phosphane.

Molecular Properties

Compound Namebromo(tert-butyl)phosphane
PubChem CID89315015
Molecular FormulaC4H10BrP
Molecular Weight169.00 g/mol
Exact Mass167.97
IUPAC Namebromo(tert-butyl)phosphane
SMILESCC(C)(C)PBr
InChIInChI=1S/C4H10BrP/c1-4(2,3)6-5/h6H,1-3H3
InChIKeyJHAITVBQJBKJLB-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.00
LogP ≤ 52.77
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 bromo(tert-butyl)phosphane?
The IUPAC name of bromo(tert-butyl)phosphane (CID 89315015) is bromo(tert-butyl)phosphane.
What is the SMILES notation for bromo(tert-butyl)phosphane?
The canonical SMILES for bromo(tert-butyl)phosphane is CC(C)(C)PBr.
What is the InChIKey of bromo(tert-butyl)phosphane?
The InChIKey is JHAITVBQJBKJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrP/c1-4(2,3)6-5/h6H,1-3H3.
What are the key properties of bromo(tert-butyl)phosphane?
bromo(tert-butyl)phosphane has a molecular weight of 169.00 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(tert-butyl)phosphane is sourced from PubChem (CID 89315015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).