1,1-dibromopropyl dihydrogen phosphite

C3H7Br2O3P — CID 88785187

IUPAC1,1-dibromopropyl dihydrogen phosphite
SMILESCCC(Br)(Br)OP(O)O
InChIInChI=1S/C3H7Br2O3P/c1-2-3(4,5)8-9(6)7/h6-7H,2H2,1H3
InChIKeyQKNGAKRJTRLAJP-UHFFFAOYSA-N
MW281.87 g/mol
LogP2.07
Rot. Bonds3

About 1,1-dibromopropyl dihydrogen phosphite

1,1-dibromopropyl dihydrogen phosphite (PubChem CID 88785187) has the molecular formula C3H7Br2O3P and a molecular weight of 281.87 g/mol. Its IUPAC name is 1,1-dibromopropyl dihydrogen phosphite.

Molecular Properties

Compound Name1,1-dibromopropyl dihydrogen phosphite
PubChem CID88785187
Molecular FormulaC3H7Br2O3P
Molecular Weight281.87 g/mol
Exact Mass279.85
IUPAC Name1,1-dibromopropyl dihydrogen phosphite
SMILESCCC(Br)(Br)OP(O)O
InChIInChI=1S/C3H7Br2O3P/c1-2-3(4,5)8-9(6)7/h6-7H,2H2,1H3
InChIKeyQKNGAKRJTRLAJP-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dibromopropyl dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromopropyl dihydrogen phosphite?
The IUPAC name of 1,1-dibromopropyl dihydrogen phosphite (CID 88785187) is 1,1-dibromopropyl dihydrogen phosphite.
What is the SMILES notation for 1,1-dibromopropyl dihydrogen phosphite?
The canonical SMILES for 1,1-dibromopropyl dihydrogen phosphite is CCC(Br)(Br)OP(O)O.
What is the InChIKey of 1,1-dibromopropyl dihydrogen phosphite?
The InChIKey is QKNGAKRJTRLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Br2O3P/c1-2-3(4,5)8-9(6)7/h6-7H,2H2,1H3.
What are the key properties of 1,1-dibromopropyl dihydrogen phosphite?
1,1-dibromopropyl dihydrogen phosphite has a molecular weight of 281.87 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromopropyl dihydrogen phosphite is sourced from PubChem (CID 88785187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).