4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one

C14H16FNO4 — CID 138594515

IUPAC4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2c(F)cc(OCCO)cc21
InChIInChI=1S/C14H16FNO4/c15-11-8-9(19-6-5-17)7-10-12(11)14(20-13(10)18)1-3-16-4-2-14/h7-8,16-17H,1-6H2
InChIKeyCCMMGUNIQJJQTF-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.95
Rot. Bonds3

About 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one

4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594515) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594515
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2c(F)cc(OCCO)cc21
InChIInChI=1S/C14H16FNO4/c15-11-8-9(19-6-5-17)7-10-12(11)14(20-13(10)18)1-3-16-4-2-14/h7-8,16-17H,1-6H2
InChIKeyCCMMGUNIQJJQTF-UHFFFAOYSA-N
XLogP0.95
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594515) is 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCNCC2)c2c(F)cc(OCCO)cc21.
What is the InChIKey of 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is CCMMGUNIQJJQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-8-9(19-6-5-17)7-10-12(11)14(20-13(10)18)1-3-16-4-2-14/h7-8,16-17H,1-6H2.
What are the key properties of 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 281.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-hydroxyethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).