2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone

C11H17ClFNO3 — CID 167903171

IUPAC2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone
SMILESC[C@@H]1CCC[C@H](C2OCCO2)N1C(=O)C(F)Cl
InChIInChI=1S/C11H17ClFNO3/c1-7-3-2-4-8(11-16-5-6-17-11)14(7)10(15)9(12)13/h7-9,11H,2-6H2,1H3/t7-,8-,9?/m1/s1
InChIKeyFZXFXZHNRQVETQ-ZAZKALAHSA-N
MW265.71 g/mol
LogP1.66
Rot. Bonds2

About 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone

2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone (PubChem CID 167903171) has the molecular formula C11H17ClFNO3 and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone
PubChem CID167903171
Molecular FormulaC11H17ClFNO3
Molecular Weight265.71 g/mol
Exact Mass265.09
IUPAC Name2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone
SMILESC[C@@H]1CCC[C@H](C2OCCO2)N1C(=O)C(F)Cl
InChIInChI=1S/C11H17ClFNO3/c1-7-3-2-4-8(11-16-5-6-17-11)14(7)10(15)9(12)13/h7-9,11H,2-6H2,1H3/t7-,8-,9?/m1/s1
InChIKeyFZXFXZHNRQVETQ-ZAZKALAHSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone?
The IUPAC name of 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone (CID 167903171) is 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone.
What is the SMILES notation for 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone?
The canonical SMILES for 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone is C[C@@H]1CCC[C@H](C2OCCO2)N1C(=O)C(F)Cl.
What is the InChIKey of 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone?
The InChIKey is FZXFXZHNRQVETQ-ZAZKALAHSA-N. The full InChI is InChI=1S/C11H17ClFNO3/c1-7-3-2-4-8(11-16-5-6-17-11)14(7)10(15)9(12)13/h7-9,11H,2-6H2,1H3/t7-,8-,9?/m1/s1.
What are the key properties of 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone?
2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone has a molecular weight of 265.71 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R,6R)-2-(1,3-dioxolan-2-yl)-6-methylpiperidin-1-yl]-2-fluoroethanone is sourced from PubChem (CID 167903171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).