3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol

C7H15Br3O2 — CID 88759464

IUPAC3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol
SMILESCCO.OCC(CBr)(CBr)CBr
InChIInChI=1S/C5H9Br3O.C2H6O/c6-1-5(2-7,3-8)4-9;1-2-3/h9H,1-4H2;3H,2H2,1H3
InChIKeyLJVBZIQYOQFWAW-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.15
Rot. Bonds4

About 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol

3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol (PubChem CID 88759464) has the molecular formula C7H15Br3O2 and a molecular weight of 370.91 g/mol. Its IUPAC name is 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol.

Molecular Properties

Compound Name3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol
PubChem CID88759464
Molecular FormulaC7H15Br3O2
Molecular Weight370.91 g/mol
Exact Mass367.86
IUPAC Name3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol
SMILESCCO.OCC(CBr)(CBr)CBr
InChIInChI=1S/C5H9Br3O.C2H6O/c6-1-5(2-7,3-8)4-9;1-2-3/h9H,1-4H2;3H,2H2,1H3
InChIKeyLJVBZIQYOQFWAW-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol?
The IUPAC name of 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol (CID 88759464) is 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol.
What is the SMILES notation for 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol?
The canonical SMILES for 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol is CCO.OCC(CBr)(CBr)CBr.
What is the InChIKey of 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol?
The InChIKey is LJVBZIQYOQFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br3O.C2H6O/c6-1-5(2-7,3-8)4-9;1-2-3/h9H,1-4H2;3H,2H2,1H3.
What are the key properties of 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol?
3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol has a molecular weight of 370.91 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2-bis(bromomethyl)propan-1-ol;ethanol is sourced from PubChem (CID 88759464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).