2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium

C7H18BrNO3P+ — CID 174948627

IUPAC2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium
SMILESC[N+](C)(C)CCOP=O.OCCBr
InChIInChI=1S/C5H13NO2P.C2H5BrO/c1-6(2,3)4-5-8-9-7;3-1-2-4/h4-5H2,1-3H3;4H,1-2H2/q+1;
InChIKeyCPUUHNYEKGNJQH-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.29
Rot. Bonds5

About 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium

2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium (PubChem CID 174948627) has the molecular formula C7H18BrNO3P+ and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium.

Molecular Properties

Compound Name2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium
PubChem CID174948627
Molecular FormulaC7H18BrNO3P+
Molecular Weight275.10 g/mol
Exact Mass274.02
IUPAC Name2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium
SMILESC[N+](C)(C)CCOP=O.OCCBr
InChIInChI=1S/C5H13NO2P.C2H5BrO/c1-6(2,3)4-5-8-9-7;3-1-2-4/h4-5H2,1-3H3;4H,1-2H2/q+1;
InChIKeyCPUUHNYEKGNJQH-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione;trimethyl(2-phosphorosooxyethyl)azanium
CID 174939606
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
CID 166692262
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
CID 174726495
CID 174726495
1-fluoro-2-phosphorosooxyethane
CID 174873392
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium?
The IUPAC name of 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium (CID 174948627) is 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium.
What is the SMILES notation for 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium?
The canonical SMILES for 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium is C[N+](C)(C)CCOP=O.OCCBr.
What is the InChIKey of 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium?
The InChIKey is CPUUHNYEKGNJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2P.C2H5BrO/c1-6(2,3)4-5-8-9-7;3-1-2-4/h4-5H2,1-3H3;4H,1-2H2/q+1;.
What are the key properties of 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium?
2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium has a molecular weight of 275.10 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethanol;trimethyl(2-phosphorosooxyethyl)azanium is sourced from PubChem (CID 174948627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).