3-(2-oxopiperidin-1-yl)pentanoyl fluoride

C10H16FNO2 — CID 130351196

IUPAC3-(2-oxopiperidin-1-yl)pentanoyl fluoride
SMILESCCC(CC(=O)F)N1CCCCC1=O
InChIInChI=1S/C10H16FNO2/c1-2-8(7-9(11)13)12-6-4-3-5-10(12)14/h8H,2-7H2,1H3
InChIKeyHYAJXUBHYGAZRN-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.66
Rot. Bonds4

About 3-(2-oxopiperidin-1-yl)pentanoyl fluoride

3-(2-oxopiperidin-1-yl)pentanoyl fluoride (PubChem CID 130351196) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)pentanoyl fluoride.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)pentanoyl fluoride
PubChem CID130351196
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-(2-oxopiperidin-1-yl)pentanoyl fluoride
SMILESCCC(CC(=O)F)N1CCCCC1=O
InChIInChI=1S/C10H16FNO2/c1-2-8(7-9(11)13)12-6-4-3-5-10(12)14/h8H,2-7H2,1H3
InChIKeyHYAJXUBHYGAZRN-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)pentanoyl fluoride?
The IUPAC name of 3-(2-oxopiperidin-1-yl)pentanoyl fluoride (CID 130351196) is 3-(2-oxopiperidin-1-yl)pentanoyl fluoride.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)pentanoyl fluoride?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)pentanoyl fluoride is CCC(CC(=O)F)N1CCCCC1=O.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)pentanoyl fluoride?
The InChIKey is HYAJXUBHYGAZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-2-8(7-9(11)13)12-6-4-3-5-10(12)14/h8H,2-7H2,1H3.
What are the key properties of 3-(2-oxopiperidin-1-yl)pentanoyl fluoride?
3-(2-oxopiperidin-1-yl)pentanoyl fluoride has a molecular weight of 201.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)pentanoyl fluoride is sourced from PubChem (CID 130351196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).