2-bromoethyl dimethyl phosphite

C4H10BrO3P — CID 10353282

IUPAC2-bromoethyl dimethyl phosphite
SMILESCOP(OC)OCCBr
InChIInChI=1S/C4H10BrO3P/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3
InChIKeyFZTXGIUKIRPHID-UHFFFAOYSA-N
MW217.00 g/mol
LogP1.92
Rot. Bonds5

About 2-bromoethyl dimethyl phosphite

2-bromoethyl dimethyl phosphite (PubChem CID 10353282) has the molecular formula C4H10BrO3P and a molecular weight of 217.00 g/mol. Its IUPAC name is 2-bromoethyl dimethyl phosphite.

Molecular Properties

Compound Name2-bromoethyl dimethyl phosphite
PubChem CID10353282
Molecular FormulaC4H10BrO3P
Molecular Weight217.00 g/mol
Exact Mass215.96
IUPAC Name2-bromoethyl dimethyl phosphite
SMILESCOP(OC)OCCBr
InChIInChI=1S/C4H10BrO3P/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3
InChIKeyFZTXGIUKIRPHID-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.00
LogP ≤ 51.92
H-Bond Donors ≤ 50
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

Tris(2-bromoethyl) phosphite
CID 572267
Bromo(diethoxy)phosphane
CID 12583901
2-Bromoethyl diethyl phosphate
CID 19423107
Ethyl 2,2,2-tribromoethyl hydrogen phosphite
CID 20349311
Bromo diethyl phosphite
CID 22253900
Bromo(triethoxy)phosphanium
CID 23414962
Bis(2-bromoethyl) hydrogen phosphite
CID 54483463
Bis(2-bromoethoxy)-chlorophosphane
CID 54551288
2-Bromoethyl Methyl Methylphosphonate
CID 57071163
Bromo-bis(2-bromoethoxy)phosphane
CID 85797524
2-Bromoethyl diethyl phosphite
CID 85993996
Bis(2-bromoethyl) phosphite
CID 86738295

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl dimethyl phosphite?
The IUPAC name of 2-bromoethyl dimethyl phosphite (CID 10353282) is 2-bromoethyl dimethyl phosphite.
What is the SMILES notation for 2-bromoethyl dimethyl phosphite?
The canonical SMILES for 2-bromoethyl dimethyl phosphite is COP(OC)OCCBr.
What is the InChIKey of 2-bromoethyl dimethyl phosphite?
The InChIKey is FZTXGIUKIRPHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrO3P/c1-6-9(7-2)8-4-3-5/h3-4H2,1-2H3.
What are the key properties of 2-bromoethyl dimethyl phosphite?
2-bromoethyl dimethyl phosphite has a molecular weight of 217.00 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl dimethyl phosphite is sourced from PubChem (CID 10353282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).