2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide

C11H26Br2P+ — CID 174992248

IUPAC2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide
SMILESBr.CC(C)[P+](CCBr)(C(C)C)C(C)C
InChIInChI=1S/C11H25BrP.BrH/c1-9(2)13(8-7-12,10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3;1H/q+1;
InChIKeyHTXZIEUDHMMPJN-UHFFFAOYSA-N
MW349.11 g/mol
LogP5.20
Rot. Bonds5

About 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide

2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide (PubChem CID 174992248) has the molecular formula C11H26Br2P+ and a molecular weight of 349.11 g/mol. Its IUPAC name is 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide.

Molecular Properties

Compound Name2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide
PubChem CID174992248
Molecular FormulaC11H26Br2P+
Molecular Weight349.11 g/mol
Exact Mass347.01
IUPAC Name2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide
SMILESBr.CC(C)[P+](CCBr)(C(C)C)C(C)C
InChIInChI=1S/C11H25BrP.BrH/c1-9(2)13(8-7-12,10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3;1H/q+1;
InChIKeyHTXZIEUDHMMPJN-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.11
LogP ≤ 55.20
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

2-bromoethyl(trimethyl)phosphanium
CID 22909796
1,7-dibromo-3,5-dimethylheptane
CID 155037332
1,5-dibromo-2,3-dimethylpentane
CID 21200747
(3S)-1,3-dibromo-4-methylpentane
CID 129433792
1-bromo-3,5-dimethylhexane
CID 10867183
1,3-dibromobutane;1,3-dibromopropane
CID 160634915
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878
4-bromo-1-methoxy-2-methylbutane
CID 115625046
4-bromo-N-ethylbutan-2-amine
CID 83179522
(3R)-1-bromo-3,11-dimethyldodecane
CID 118054379
4-bromo-2-methylbutanamide
CID 57350656
3-bromo-1,1-difluoropropane
CID 18504245

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide?
The IUPAC name of 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide (CID 174992248) is 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide.
What is the SMILES notation for 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide?
The canonical SMILES for 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide is Br.CC(C)[P+](CCBr)(C(C)C)C(C)C.
What is the InChIKey of 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide?
The InChIKey is HTXZIEUDHMMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BrP.BrH/c1-9(2)13(8-7-12,10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3;1H/q+1;.
What are the key properties of 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide?
2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide has a molecular weight of 349.11 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-tri(propan-2-yl)phosphanium;hydrobromide is sourced from PubChem (CID 174992248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).