3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one

C19H13FO2 — CID 102110876

IUPAC3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1cccc2ccccc12
InChIInChI=1S/C19H13FO2/c20-19(16-10-3-4-11-17(16)22-18(19)21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChIKeyFXRNNNYLKFTWRS-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.17
Rot. Bonds2

About 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one

3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one (PubChem CID 102110876) has the molecular formula C19H13FO2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one.

Molecular Properties

Compound Name3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one
PubChem CID102110876
Molecular FormulaC19H13FO2
Molecular Weight292.31 g/mol
Exact Mass292.09
IUPAC Name3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one
SMILESO=C1Oc2ccccc2C1(F)Cc1cccc2ccccc12
InChIInChI=1S/C19H13FO2/c20-19(16-10-3-4-11-17(16)22-18(19)21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChIKeyFXRNNNYLKFTWRS-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one?
The IUPAC name of 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one (CID 102110876) is 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one.
What is the SMILES notation for 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one?
The canonical SMILES for 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one is O=C1Oc2ccccc2C1(F)Cc1cccc2ccccc12.
What is the InChIKey of 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one?
The InChIKey is FXRNNNYLKFTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO2/c20-19(16-10-3-4-11-17(16)22-18(19)21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2.
What are the key properties of 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one?
3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one has a molecular weight of 292.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(naphthalen-1-ylmethyl)-1-benzofuran-2-one is sourced from PubChem (CID 102110876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).