2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone

C13H15FO2 — CID 81330350

IUPAC2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(F)c2)O1
InChIInChI=1S/C13H15FO2/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-4,7,9,13H,5-6,8H2,1H3
InChIKeyFFLBALPROZGYGF-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.50
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone

2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone (PubChem CID 81330350) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
PubChem CID81330350
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(F)c2)O1
InChIInChI=1S/C13H15FO2/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-4,7,9,13H,5-6,8H2,1H3
InChIKeyFFLBALPROZGYGF-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
CID 65155784
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
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2-(3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385664
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
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
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone (CID 81330350) is 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone is CC1CCC(C(=O)Cc2cccc(F)c2)O1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The InChIKey is FFLBALPROZGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-9-5-6-13(16-9)12(15)8-10-3-2-4-11(14)7-10/h2-4,7,9,13H,5-6,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 2.50, 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-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 81330350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).