3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran

C16H11F3O — CID 175426400

IUPAC3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
SMILESFC(F)C(F)c1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11F3O/c17-14(16(18)19)15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)20-15/h1-9,14,16H
InChIKeyWEBYTYZWWZESJL-UHFFFAOYSA-N
MW276.26 g/mol
LogP5.38
Rot. Bonds3

About 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran

3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran (PubChem CID 175426400) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran.

Molecular Properties

Compound Name3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
PubChem CID175426400
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
SMILESFC(F)C(F)c1oc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11F3O/c17-14(16(18)19)15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)20-15/h1-9,14,16H
InChIKeyWEBYTYZWWZESJL-UHFFFAOYSA-N
XLogP5.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.26
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The IUPAC name of 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran (CID 175426400) is 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran.
What is the SMILES notation for 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The canonical SMILES for 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran is FC(F)C(F)c1oc2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
The InChIKey is WEBYTYZWWZESJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O/c17-14(16(18)19)15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)20-15/h1-9,14,16H.
What are the key properties of 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran?
3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran has a molecular weight of 276.26 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran is sourced from PubChem (CID 175426400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).