2-(trifluoromethyl)-1-benzofuran

C9H5F3O — CID 14690061

IUPAC2-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc2ccccc2o1
InChIInChI=1S/C9H5F3O/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5H
InChIKeyHAJMXUMVMGVBOQ-UHFFFAOYSA-N
MW186.13 g/mol
LogP3.45
Rot. Bonds

About 2-(trifluoromethyl)-1-benzofuran

2-(trifluoromethyl)-1-benzofuran (PubChem CID 14690061) has the molecular formula C9H5F3O and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name2-(trifluoromethyl)-1-benzofuran
PubChem CID14690061
Molecular FormulaC9H5F3O
Molecular Weight186.13 g/mol
Exact Mass186.03
IUPAC Name2-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc2ccccc2o1
InChIInChI=1S/C9H5F3O/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5H
InChIKeyHAJMXUMVMGVBOQ-UHFFFAOYSA-N
XLogP3.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 2-(trifluoromethyl)-1-benzofuran (CID 14690061) is 2-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 2-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 2-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1cc2ccccc2o1.
What is the InChIKey of 2-(trifluoromethyl)-1-benzofuran?
The InChIKey is HAJMXUMVMGVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5H.
What are the key properties of 2-(trifluoromethyl)-1-benzofuran?
2-(trifluoromethyl)-1-benzofuran has a molecular weight of 186.13 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 14690061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).