1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone

C15H14ClFO3 — CID 118351380

IUPAC1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(C)=O)O1
InChIInChI=1S/C15H14ClFO3/c1-9(18)14-7-12(8-15(17,20-14)10(2)19)11-3-5-13(16)6-4-11/h3-7,12H,8H2,1-2H3
InChIKeyAZDGVBKVGFKXGG-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.57
Rot. Bonds3

About 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone

1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone (PubChem CID 118351380) has the molecular formula C15H14ClFO3 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone
PubChem CID118351380
Molecular FormulaC15H14ClFO3
Molecular Weight296.73 g/mol
Exact Mass296.06
IUPAC Name1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone
SMILESCC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(C)=O)O1
InChIInChI=1S/C15H14ClFO3/c1-9(18)14-7-12(8-15(17,20-14)10(2)19)11-3-5-13(16)6-4-11/h3-7,12H,8H2,1-2H3
InChIKeyAZDGVBKVGFKXGG-UHFFFAOYSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.57
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-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone?
The IUPAC name of 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone (CID 118351380) is 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone.
What is the SMILES notation for 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone?
The canonical SMILES for 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone is CC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(C)=O)O1.
What is the InChIKey of 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone?
The InChIKey is AZDGVBKVGFKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3/c1-9(18)14-7-12(8-15(17,20-14)10(2)19)11-3-5-13(16)6-4-11/h3-7,12H,8H2,1-2H3.
What are the key properties of 1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone?
1-[2-acetyl-4-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone has a molecular weight of 296.73 g/mol, XLogP of 3.57, 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-(4-chlorophenyl)-2-fluoro-3,4-dihydropyran-6-yl]ethanone is sourced from PubChem (CID 118351380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).