2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone

C15H20FNO2 — CID 116751283

IUPAC2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
SMILESCCOC(C(=O)c1ccncc1F)C1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h8-11,15H,2-7H2,1H3
InChIKeyOBBSPUACIZYCNI-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.39
Rot. Bonds5

About 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone

2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 116751283) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
PubChem CID116751283
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone
SMILESCCOC(C(=O)c1ccncc1F)C1CCCCC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h8-11,15H,2-7H2,1H3
InChIKeyOBBSPUACIZYCNI-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone (CID 116751283) is 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone is CCOC(C(=O)c1ccncc1F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone?
The InChIKey is OBBSPUACIZYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(11-6-4-3-5-7-11)14(18)12-8-9-17-10-13(12)16/h8-11,15H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone?
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone has a molecular weight of 265.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 116751283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).