2-(4-ethylpiperidin-4-yl)acetyl fluoride

C9H16FNO — CID 139456164

IUPAC2-(4-ethylpiperidin-4-yl)acetyl fluoride
SMILESCCC1(CC(=O)F)CCNCC1
InChIInChI=1S/C9H16FNO/c1-2-9(7-8(10)12)3-5-11-6-4-9/h11H,2-7H2,1H3
InChIKeyQRSJDWWHNYYERH-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-ethylpiperidin-4-yl)acetyl fluoride

2-(4-ethylpiperidin-4-yl)acetyl fluoride (PubChem CID 139456164) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-4-yl)acetyl fluoride.

Molecular Properties

Compound Name2-(4-ethylpiperidin-4-yl)acetyl fluoride
PubChem CID139456164
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-(4-ethylpiperidin-4-yl)acetyl fluoride
SMILESCCC1(CC(=O)F)CCNCC1
InChIInChI=1S/C9H16FNO/c1-2-9(7-8(10)12)3-5-11-6-4-9/h11H,2-7H2,1H3
InChIKeyQRSJDWWHNYYERH-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 2-(4-ethylpiperidin-4-yl)acetyl fluoride?
The IUPAC name of 2-(4-ethylpiperidin-4-yl)acetyl fluoride (CID 139456164) is 2-(4-ethylpiperidin-4-yl)acetyl fluoride.
What is the SMILES notation for 2-(4-ethylpiperidin-4-yl)acetyl fluoride?
The canonical SMILES for 2-(4-ethylpiperidin-4-yl)acetyl fluoride is CCC1(CC(=O)F)CCNCC1.
What is the InChIKey of 2-(4-ethylpiperidin-4-yl)acetyl fluoride?
The InChIKey is QRSJDWWHNYYERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-9(7-8(10)12)3-5-11-6-4-9/h11H,2-7H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-4-yl)acetyl fluoride?
2-(4-ethylpiperidin-4-yl)acetyl fluoride has a molecular weight of 173.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-4-yl)acetyl fluoride is sourced from PubChem (CID 139456164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).