3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one

C14H9F2NO2 — CID 3152816

IUPAC3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C14H9F2NO2/c15-11-6-5-8(7-12(11)16)17-13-9-3-1-2-4-10(9)14(18)19-13/h1-7,13,17H
InChIKeyPMEYTRPYUHRORF-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.25
Rot. Bonds2

About 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one

3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one (PubChem CID 3152816) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one
PubChem CID3152816
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C14H9F2NO2/c15-11-6-5-8(7-12(11)16)17-13-9-3-1-2-4-10(9)14(18)19-13/h1-7,13,17H
InChIKeyPMEYTRPYUHRORF-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one (CID 3152816) is 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one is O=C1OC(Nc2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one?
The InChIKey is PMEYTRPYUHRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-11-6-5-8(7-12(11)16)17-13-9-3-1-2-4-10(9)14(18)19-13/h1-7,13,17H.
What are the key properties of 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one?
3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one has a molecular weight of 261.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).