3-(4-fluoroanilino)-3H-2-benzofuran-1-one

C14H10FNO2 — CID 583967

IUPAC3-(4-fluoroanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H10FNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h1-8,13,16H
InChIKeyMLQKCVWRZPCHDQ-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-fluoroanilino)-3H-2-benzofuran-1-one

3-(4-fluoroanilino)-3H-2-benzofuran-1-one (PubChem CID 583967) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-3H-2-benzofuran-1-one
PubChem CID583967
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-(4-fluoroanilino)-3H-2-benzofuran-1-one
SMILESO=C1OC(Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C14H10FNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h1-8,13,16H
InChIKeyMLQKCVWRZPCHDQ-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-fluoroanilino)-3H-2-benzofuran-1-one (CID 583967) is 3-(4-fluoroanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-fluoroanilino)-3H-2-benzofuran-1-one is O=C1OC(Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluoroanilino)-3H-2-benzofuran-1-one?
The InChIKey is MLQKCVWRZPCHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h1-8,13,16H.
What are the key properties of 3-(4-fluoroanilino)-3H-2-benzofuran-1-one?
3-(4-fluoroanilino)-3H-2-benzofuran-1-one has a molecular weight of 243.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 583967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).