7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol

C9H6BrF3O2 — CID 18004793

IUPAC7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol
SMILESOC1Cc2c(C(F)(F)F)ccc(Br)c2O1
InChIInChI=1S/C9H6BrF3O2/c10-6-2-1-5(9(11,12)13)4-3-7(14)15-8(4)6/h1-2,7,14H,3H2
InChIKeyYERPIWFZIDUNKD-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.72
Rot. Bonds

About 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol

7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol (PubChem CID 18004793) has the molecular formula C9H6BrF3O2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol.

Molecular Properties

Compound Name7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol
PubChem CID18004793
Molecular FormulaC9H6BrF3O2
Molecular Weight283.04 g/mol
Exact Mass281.95
IUPAC Name7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol
SMILESOC1Cc2c(C(F)(F)F)ccc(Br)c2O1
InChIInChI=1S/C9H6BrF3O2/c10-6-2-1-5(9(11,12)13)4-3-7(14)15-8(4)6/h1-2,7,14H,3H2
InChIKeyYERPIWFZIDUNKD-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol?
The IUPAC name of 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol (CID 18004793) is 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol.
What is the SMILES notation for 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol?
The canonical SMILES for 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol is OC1Cc2c(C(F)(F)F)ccc(Br)c2O1.
What is the InChIKey of 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol?
The InChIKey is YERPIWFZIDUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O2/c10-6-2-1-5(9(11,12)13)4-3-7(14)15-8(4)6/h1-2,7,14H,3H2.
What are the key properties of 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol?
7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol has a molecular weight of 283.04 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-ol is sourced from PubChem (CID 18004793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).