6-fluoro-2-propyl-1-benzofuran-3-one

C11H11FO2 — CID 83050185

IUPAC6-fluoro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2cc(F)ccc2C1=O
InChIInChI=1S/C11H11FO2/c1-2-3-9-11(13)8-5-4-7(12)6-10(8)14-9/h4-6,9H,2-3H2,1H3
InChIKeyWCVZEGMVIJNIAQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.57
Rot. Bonds2

About 6-fluoro-2-propyl-1-benzofuran-3-one

6-fluoro-2-propyl-1-benzofuran-3-one (PubChem CID 83050185) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-fluoro-2-propyl-1-benzofuran-3-one.

Molecular Properties

Compound Name6-fluoro-2-propyl-1-benzofuran-3-one
PubChem CID83050185
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name6-fluoro-2-propyl-1-benzofuran-3-one
SMILESCCCC1Oc2cc(F)ccc2C1=O
InChIInChI=1S/C11H11FO2/c1-2-3-9-11(13)8-5-4-7(12)6-10(8)14-9/h4-6,9H,2-3H2,1H3
InChIKeyWCVZEGMVIJNIAQ-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propyl-1-benzofuran-3-one?
The IUPAC name of 6-fluoro-2-propyl-1-benzofuran-3-one (CID 83050185) is 6-fluoro-2-propyl-1-benzofuran-3-one.
What is the SMILES notation for 6-fluoro-2-propyl-1-benzofuran-3-one?
The canonical SMILES for 6-fluoro-2-propyl-1-benzofuran-3-one is CCCC1Oc2cc(F)ccc2C1=O.
What is the InChIKey of 6-fluoro-2-propyl-1-benzofuran-3-one?
The InChIKey is WCVZEGMVIJNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-3-9-11(13)8-5-4-7(12)6-10(8)14-9/h4-6,9H,2-3H2,1H3.
What are the key properties of 6-fluoro-2-propyl-1-benzofuran-3-one?
6-fluoro-2-propyl-1-benzofuran-3-one has a molecular weight of 194.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propyl-1-benzofuran-3-one is sourced from PubChem (CID 83050185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).