1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone

C15H21FO3 — CID 118351383

IUPAC1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
SMILESCC(=O)C1=CC(C2CCCCC2)CC(F)(C(C)=O)O1
InChIInChI=1S/C15H21FO3/c1-10(17)14-8-13(12-6-4-3-5-7-12)9-15(16,19-14)11(2)18/h8,12-13H,3-7,9H2,1-2H3
InChIKeyMTIUFKHTKWOTCU-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone

1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone (PubChem CID 118351383) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
PubChem CID118351383
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
SMILESCC(=O)C1=CC(C2CCCCC2)CC(F)(C(C)=O)O1
InChIInChI=1S/C15H21FO3/c1-10(17)14-8-13(12-6-4-3-5-7-12)9-15(16,19-14)11(2)18/h8,12-13H,3-7,9H2,1-2H3
InChIKeyMTIUFKHTKWOTCU-UHFFFAOYSA-N
XLogP3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone?
The IUPAC name of 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone (CID 118351383) is 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone.
What is the SMILES notation for 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone?
The canonical SMILES for 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone is CC(=O)C1=CC(C2CCCCC2)CC(F)(C(C)=O)O1.
What is the InChIKey of 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone?
The InChIKey is MTIUFKHTKWOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-10(17)14-8-13(12-6-4-3-5-7-12)9-15(16,19-14)11(2)18/h8,12-13H,3-7,9H2,1-2H3.
What are the key properties of 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone?
1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone has a molecular weight of 268.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone is sourced from PubChem (CID 118351383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).