2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone

C15H19FO2 — CID 65155784

IUPAC2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCC1OC(C)C(C(=O)Cc2cccc(F)c2)C1C
InChIInChI=1S/C15H19FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyMAHQZJKYYYVVOF-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone

2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone (PubChem CID 65155784) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
PubChem CID65155784
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
SMILESCC1OC(C)C(C(=O)Cc2cccc(F)c2)C1C
InChIInChI=1S/C15H19FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,15H,8H2,1-3H3
InChIKeyMAHQZJKYYYVVOF-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385664
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
CID 71582377
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2-(3-fluorophenyl)ethanone
CID 116550173
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone (CID 65155784) is 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone is CC1OC(C)C(C(=O)Cc2cccc(F)c2)C1C.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
The InChIKey is MAHQZJKYYYVVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-9-10(2)18-11(3)15(9)14(17)8-12-5-4-6-13(16)7-12/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone?
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone has a molecular weight of 250.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone is sourced from PubChem (CID 65155784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).