bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane

C20H19Br2P — CID 14002017

IUPACbromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
SMILESCC(Br)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19Br2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyHCESURSSZHDNBL-UHFFFAOYSA-N
MW450.15 g/mol
LogP5.57
Rot. Bonds4

About bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane

bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane (PubChem CID 14002017) has the molecular formula C20H19Br2P and a molecular weight of 450.15 g/mol. Its IUPAC name is bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
PubChem CID14002017
Molecular FormulaC20H19Br2P
Molecular Weight450.15 g/mol
Exact Mass447.96
IUPAC Namebromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
SMILESCC(Br)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19Br2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKeyHCESURSSZHDNBL-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.15
LogP ≤ 55.57
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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Related Compounds

(1R,2R)-2-[bromo(triphenyl)-lambda5-phosphanyl]-1-phenylpropan-1-ol
CID 13214001
1-[bromo(triphenyl)-λ5-phosphanyl]-N-methylpropan-1-amine
CID 168897600
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
1-bromoethylbenzene
CID 11454
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
CID 134888993
2-[bromo(triphenyl)-λ5-phosphanyl]-2-methyl-1-phenylpropan-1-ol
CID 134976890
iodo-(1-iodoethyl)-triphenyl-λ5-phosphane
CID 134886738
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
CID 100926580
phenol;propan-2-ylphosphane
CID 142173645
bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
CID 135051319
bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
CID 139776623

Frequently Asked Questions

What is the IUPAC name of bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane (CID 14002017) is bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane is CC(Br)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane?
The InChIKey is HCESURSSZHDNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2P/c1-17(21)23(22,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3.
What are the key properties of bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane?
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane has a molecular weight of 450.15 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane is sourced from PubChem (CID 14002017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).