2,2,3-tribromopropane-1,1,1-triol

C3H5Br3O3 — CID 118275731

IUPAC2,2,3-tribromopropane-1,1,1-triol
SMILESOC(O)(O)C(Br)(Br)CBr
InChIInChI=1S/C3H5Br3O3/c4-1-2(5,6)3(7,8)9/h7-9H,1H2
InChIKeyQKPWHBSKOMEUHM-UHFFFAOYSA-N
MW328.78 g/mol
LogP0.50
Rot. Bonds2

About 2,2,3-tribromopropane-1,1,1-triol

2,2,3-tribromopropane-1,1,1-triol (PubChem CID 118275731) has the molecular formula C3H5Br3O3 and a molecular weight of 328.78 g/mol. Its IUPAC name is 2,2,3-tribromopropane-1,1,1-triol.

Molecular Properties

Compound Name2,2,3-tribromopropane-1,1,1-triol
PubChem CID118275731
Molecular FormulaC3H5Br3O3
Molecular Weight328.78 g/mol
Exact Mass325.78
IUPAC Name2,2,3-tribromopropane-1,1,1-triol
SMILESOC(O)(O)C(Br)(Br)CBr
InChIInChI=1S/C3H5Br3O3/c4-1-2(5,6)3(7,8)9/h7-9H,1H2
InChIKeyQKPWHBSKOMEUHM-UHFFFAOYSA-N
XLogP0.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-tribromopropane-1,1,1-triol?
The IUPAC name of 2,2,3-tribromopropane-1,1,1-triol (CID 118275731) is 2,2,3-tribromopropane-1,1,1-triol.
What is the SMILES notation for 2,2,3-tribromopropane-1,1,1-triol?
The canonical SMILES for 2,2,3-tribromopropane-1,1,1-triol is OC(O)(O)C(Br)(Br)CBr.
What is the InChIKey of 2,2,3-tribromopropane-1,1,1-triol?
The InChIKey is QKPWHBSKOMEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Br3O3/c4-1-2(5,6)3(7,8)9/h7-9H,1H2.
What are the key properties of 2,2,3-tribromopropane-1,1,1-triol?
2,2,3-tribromopropane-1,1,1-triol has a molecular weight of 328.78 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tribromopropane-1,1,1-triol is sourced from PubChem (CID 118275731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).