5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol

C10H8Br2F2O — CID 107140447

IUPAC5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
SMILESOC1(C(F)(F)Br)CCc2cc(Br)ccc21
InChIInChI=1S/C10H8Br2F2O/c11-7-1-2-8-6(5-7)3-4-9(8,15)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyCCTFMAYQMBHGCK-UHFFFAOYSA-N
MW341.98 g/mol
LogP3.57
Rot. Bonds1

About 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol

5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107140447) has the molecular formula C10H8Br2F2O and a molecular weight of 341.98 g/mol. Its IUPAC name is 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
PubChem CID107140447
Molecular FormulaC10H8Br2F2O
Molecular Weight341.98 g/mol
Exact Mass339.89
IUPAC Name5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
SMILESOC1(C(F)(F)Br)CCc2cc(Br)ccc21
InChIInChI=1S/C10H8Br2F2O/c11-7-1-2-8-6(5-7)3-4-9(8,15)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeyCCTFMAYQMBHGCK-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.98
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol (CID 107140447) is 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol is OC1(C(F)(F)Br)CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is CCTFMAYQMBHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2F2O/c11-7-1-2-8-6(5-7)3-4-9(8,15)10(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol?
5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 341.98 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107140447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).