2-chloro-1-(4-fluoropiperidin-1-yl)ethanone

C7H11ClFNO — CID 121200829

IUPAC2-chloro-1-(4-fluoropiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)CC1
InChIInChI=1S/C7H11ClFNO/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5H2
InChIKeyOLPYSNKDTCSLON-UHFFFAOYSA-N
MW179.62 g/mol
LogP1.19
Rot. Bonds1

About 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone

2-chloro-1-(4-fluoropiperidin-1-yl)ethanone (PubChem CID 121200829) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-fluoropiperidin-1-yl)ethanone
PubChem CID121200829
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name2-chloro-1-(4-fluoropiperidin-1-yl)ethanone
SMILESO=C(CCl)N1CCC(F)CC1
InChIInChI=1S/C7H11ClFNO/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5H2
InChIKeyOLPYSNKDTCSLON-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone (CID 121200829) is 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone is O=C(CCl)N1CCC(F)CC1.
What is the InChIKey of 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone?
The InChIKey is OLPYSNKDTCSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c8-5-7(11)10-3-1-6(9)2-4-10/h6H,1-5H2.
What are the key properties of 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone?
2-chloro-1-(4-fluoropiperidin-1-yl)ethanone has a molecular weight of 179.62 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 121200829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).