2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone

C12H13FO3 — CID 103543669

IUPAC2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)CC1OCCO1
InChIInChI=1S/C12H13FO3/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyJVWJNXQYIZNGBE-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.08
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 103543669) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID103543669
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)CC1OCCO1
InChIInChI=1S/C12H13FO3/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeyJVWJNXQYIZNGBE-UHFFFAOYSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 130817073
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
(5-fluoro-2-methylphenyl)-(3-methyloxolan-2-yl)methanone
CID 114970589
2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
CID 65140079
2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 103543680
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116595382
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
CID 116608359
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone (CID 103543669) is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1C(=O)CC1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is JVWJNXQYIZNGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-8-2-3-9(13)6-10(8)11(14)7-12-15-4-5-16-12/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 224.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 103543669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).