2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine

C5H14BrNO3P+ — CID 174957638

IUPAC2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
SMILESCN(C)C.O=[P+](O)OCCBr
InChIInChI=1S/C3H9N.C2H4BrO3P/c1-4(2)3;3-1-2-6-7(4)5/h1-3H3;1-2H2/p+1
InChIKeyFUHHLWJNTBYHBH-UHFFFAOYSA-O
MW247.05 g/mol
LogP1.23
Rot. Bonds3

About 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine

2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine (PubChem CID 174957638) has the molecular formula C5H14BrNO3P+ and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
PubChem CID174957638
Molecular FormulaC5H14BrNO3P+
Molecular Weight247.05 g/mol
Exact Mass245.99
IUPAC Name2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
SMILESCN(C)C.O=[P+](O)OCCBr
InChIInChI=1S/C3H9N.C2H4BrO3P/c1-4(2)3;3-1-2-6-7(4)5/h1-3H3;1-2H2/p+1
InChIKeyFUHHLWJNTBYHBH-UHFFFAOYSA-O
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-hydroxy-oxophosphanium
CID 87515088
4-bromobutoxy-hydroxy-oxophosphanium
CID 13262446
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
bis(2-bromoethoxy)-oxophosphanium
CID 13366419
2-aminoethoxy-hydroxy-oxophosphanium
CID 18512670
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
CID 6368648
CID 6368648

Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine?
The IUPAC name of 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine (CID 174957638) is 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine.
What is the SMILES notation for 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine?
The canonical SMILES for 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine is CN(C)C.O=[P+](O)OCCBr.
What is the InChIKey of 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine?
The InChIKey is FUHHLWJNTBYHBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.C2H4BrO3P/c1-4(2)3;3-1-2-6-7(4)5/h1-3H3;1-2H2/p+1.
What are the key properties of 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine?
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine has a molecular weight of 247.05 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine is sourced from PubChem (CID 174957638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).