2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone

C11H9F3O3 — CID 103543680

IUPAC2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(CC1OCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3O3/c12-7-2-1-6(10(13)11(7)14)8(15)5-9-16-3-4-17-9/h1-2,9H,3-5H2
InChIKeyTYMGGVIKYWUIAC-UHFFFAOYSA-N
MW246.18 g/mol
LogP2.05
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 103543680) has the molecular formula C11H9F3O3 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID103543680
Molecular FormulaC11H9F3O3
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(CC1OCCO1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H9F3O3/c12-7-2-1-6(10(13)11(7)14)8(15)5-9-16-3-4-17-9/h1-2,9H,3-5H2
InChIKeyTYMGGVIKYWUIAC-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570616
3-amino-3-cyclopropyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116608854
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 103543669
4-hydroxy-1-(2,3,4-trifluorophenyl)butan-1-one
CID 106677471
5,5,5-trifluoro-1-(2,3,4-trifluorophenyl)pentan-1-one
CID 115792229
4-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116596674
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
3-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116581171
1-(2,3,4-trifluorophenyl)pent-4-yn-1-one
CID 114972807

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone (CID 103543680) is 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone is O=C(CC1OCCO1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is TYMGGVIKYWUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O3/c12-7-2-1-6(10(13)11(7)14)8(15)5-9-16-3-4-17-9/h1-2,9H,3-5H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 246.18 g/mol, XLogP of 2.05, 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-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 103543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).