bromoethene;diethyl hydrogen phosphite

C6H14BrO3P — CID 88780762

IUPACbromoethene;diethyl hydrogen phosphite
SMILESC=CBr.CCOP(O)OCC
InChIInChI=1S/C4H11O3P.C2H3Br/c1-3-6-8(5)7-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H2
InChIKeyMULSCBZYWVJLNW-UHFFFAOYSA-N
MW245.05 g/mol
LogP2.80
Rot. Bonds4

About bromoethene;diethyl hydrogen phosphite

bromoethene;diethyl hydrogen phosphite (PubChem CID 88780762) has the molecular formula C6H14BrO3P and a molecular weight of 245.05 g/mol. Its IUPAC name is bromoethene;diethyl hydrogen phosphite.

Molecular Properties

Compound Namebromoethene;diethyl hydrogen phosphite
PubChem CID88780762
Molecular FormulaC6H14BrO3P
Molecular Weight245.05 g/mol
Exact Mass243.99
IUPAC Namebromoethene;diethyl hydrogen phosphite
SMILESC=CBr.CCOP(O)OCC
InChIInChI=1S/C4H11O3P.C2H3Br/c1-3-6-8(5)7-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H2
InChIKeyMULSCBZYWVJLNW-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromoethene;diethyl hydrogen phosphite?
The IUPAC name of bromoethene;diethyl hydrogen phosphite (CID 88780762) is bromoethene;diethyl hydrogen phosphite.
What is the SMILES notation for bromoethene;diethyl hydrogen phosphite?
The canonical SMILES for bromoethene;diethyl hydrogen phosphite is C=CBr.CCOP(O)OCC.
What is the InChIKey of bromoethene;diethyl hydrogen phosphite?
The InChIKey is MULSCBZYWVJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.C2H3Br/c1-3-6-8(5)7-4-2;1-2-3/h5H,3-4H2,1-2H3;2H,1H2.
What are the key properties of bromoethene;diethyl hydrogen phosphite?
bromoethene;diethyl hydrogen phosphite has a molecular weight of 245.05 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethene;diethyl hydrogen phosphite is sourced from PubChem (CID 88780762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).