[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

C10H8BrF3O2 — CID 68961966

IUPAC[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOCC1Cc2cc(C(F)(F)F)cc(Br)c2O1
InChIInChI=1S/C10H8BrF3O2/c11-8-3-6(10(12,13)14)1-5-2-7(4-15)16-9(5)8/h1,3,7,15H,2,4H2
InChIKeyXEXRMRHCGNEASV-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.76
Rot. Bonds1

About [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol

[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (PubChem CID 68961966) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
PubChem CID68961966
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
SMILESOCC1Cc2cc(C(F)(F)F)cc(Br)c2O1
InChIInChI=1S/C10H8BrF3O2/c11-8-3-6(10(12,13)14)1-5-2-7(4-15)16-9(5)8/h1,3,7,15H,2,4H2
InChIKeyXEXRMRHCGNEASV-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol 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 [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The IUPAC name of [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol (CID 68961966) is [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The canonical SMILES for [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is OCC1Cc2cc(C(F)(F)F)cc(Br)c2O1.
What is the InChIKey of [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
The InChIKey is XEXRMRHCGNEASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-3-6(10(12,13)14)1-5-2-7(4-15)16-9(5)8/h1,3,7,15H,2,4H2.
What are the key properties of [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol?
[7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol has a molecular weight of 297.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 68961966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).