2-[4-(trifluoromethyl)phenyl]-1-benzofuran

C15H9F3O — CID 22768872

IUPAC2-[4-(trifluoromethyl)phenyl]-1-benzofuran
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C15H9F3O/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14/h1-9H
InChIKeyRYJUFFIVYTYVRN-UHFFFAOYSA-N
MW262.23 g/mol
LogP5.12
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1-benzofuran

2-[4-(trifluoromethyl)phenyl]-1-benzofuran (PubChem CID 22768872) has the molecular formula C15H9F3O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1-benzofuran
PubChem CID22768872
Molecular FormulaC15H9F3O
Molecular Weight262.23 g/mol
Exact Mass262.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1-benzofuran
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C15H9F3O/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14/h1-9H
InChIKeyRYJUFFIVYTYVRN-UHFFFAOYSA-N
XLogP5.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1-benzofuran?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1-benzofuran (CID 22768872) is 2-[4-(trifluoromethyl)phenyl]-1-benzofuran.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1-benzofuran?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1-benzofuran is FC(F)(F)c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1-benzofuran?
The InChIKey is RYJUFFIVYTYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14/h1-9H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1-benzofuran?
2-[4-(trifluoromethyl)phenyl]-1-benzofuran has a molecular weight of 262.23 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1-benzofuran is sourced from PubChem (CID 22768872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).