1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone

C12H12F2O3 — CID 130817073

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCc1cc(C(=O)CC2OCCO2)c(F)cc1F
InChIInChI=1S/C12H12F2O3/c1-7-4-8(10(14)5-9(7)13)11(15)6-12-16-2-3-17-12/h4-5,12H,2-3,6H2,1H3
InChIKeyXODFBJWWJNQYGN-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.22
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone

1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 130817073) has the molecular formula C12H12F2O3 and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID130817073
Molecular FormulaC12H12F2O3
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCc1cc(C(=O)CC2OCCO2)c(F)cc1F
InChIInChI=1S/C12H12F2O3/c1-7-4-8(10(14)5-9(7)13)11(15)6-12-16-2-3-17-12/h4-5,12H,2-3,6H2,1H3
InChIKeyXODFBJWWJNQYGN-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 103543680
1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
CID 116685375
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685376
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967794
2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 79732569
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425879
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone (CID 130817073) is 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone is Cc1cc(C(=O)CC2OCCO2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is XODFBJWWJNQYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3/c1-7-4-8(10(14)5-9(7)13)11(15)6-12-16-2-3-17-12/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 242.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 130817073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).