7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran

C9H6BrF3O2 — CID 54310060

IUPAC7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)OC1Cc2cccc(Br)c2O1
InChIInChI=1S/C9H6BrF3O2/c10-6-3-1-2-5-4-7(14-8(5)6)15-9(11,12)13/h1-3,7H,4H2
InChIKeySKFWJOBCZLCKPH-UHFFFAOYSA-N
MW283.04 g/mol
LogP3.25
Rot. Bonds1

About 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran

7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran (PubChem CID 54310060) has the molecular formula C9H6BrF3O2 and a molecular weight of 283.04 g/mol. Its IUPAC name is 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran
PubChem CID54310060
Molecular FormulaC9H6BrF3O2
Molecular Weight283.04 g/mol
Exact Mass281.95
IUPAC Name7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)OC1Cc2cccc(Br)c2O1
InChIInChI=1S/C9H6BrF3O2/c10-6-3-1-2-5-4-7(14-8(5)6)15-9(11,12)13/h1-3,7H,4H2
InChIKeySKFWJOBCZLCKPH-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran (CID 54310060) is 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran is FC(F)(F)OC1Cc2cccc(Br)c2O1.
What is the InChIKey of 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran?
The InChIKey is SKFWJOBCZLCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3O2/c10-6-3-1-2-5-4-7(14-8(5)6)15-9(11,12)13/h1-3,7H,4H2.
What are the key properties of 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran?
7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran has a molecular weight of 283.04 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(trifluoromethoxy)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 54310060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).