2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone

C13H15FO2 — CID 63014359

IUPAC2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCOC1
InChIInChI=1S/C13H15FO2/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1,3,5,7,11H,2,4,6,8-9H2
InChIKeyCWRHEJJDZJFDOY-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.36
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone

2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone (PubChem CID 63014359) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
PubChem CID63014359
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCOC1
InChIInChI=1S/C13H15FO2/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1,3,5,7,11H,2,4,6,8-9H2
InChIKeyCWRHEJJDZJFDOY-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
1-(oxan-3-yl)-2-phenylmethoxyethanone
CID 131141063
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone (CID 63014359) is 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone is O=C(Cc1cccc(F)c1)C1CCCOC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone?
The InChIKey is CWRHEJJDZJFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-12-5-1-3-10(7-12)8-13(15)11-4-2-6-16-9-11/h1,3,5,7,11H,2,4,6,8-9H2.
What are the key properties of 2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone?
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 2.36, 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-(oxan-3-yl)ethanone is sourced from PubChem (CID 63014359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).