3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

C15H10F3NO2 — CID 3152806

IUPAC3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)14(20)21-13/h1-8,13,19H
InChIKeyRIEMQIBCJUVPFC-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.99
Rot. Bonds2

About 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one

3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (PubChem CID 3152806) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
PubChem CID3152806
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)14(20)21-13/h1-8,13,19H
InChIKeyRIEMQIBCJUVPFC-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one (CID 3152806) is 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is O=C1OC(Nc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
The InChIKey is RIEMQIBCJUVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)14(20)21-13/h1-8,13,19H.
What are the key properties of 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one?
3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one has a molecular weight of 293.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)anilino]-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).