2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone

C15H9F3O3 — CID 43338535

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1COc2ccccc2O1
InChIInChI=1S/C15H9F3O3/c16-8-5-9(17)14(10(18)6-8)15(19)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2
InChIKeyXNWVIXOEGYQDCN-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.13
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 43338535) has the molecular formula C15H9F3O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID43338535
Molecular FormulaC15H9F3O3
Molecular Weight294.23 g/mol
Exact Mass294.05
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)C1COc2ccccc2O1
InChIInChI=1S/C15H9F3O3/c16-8-5-9(17)14(10(18)6-8)15(19)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2
InChIKeyXNWVIXOEGYQDCN-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-3-methylphenyl)methanone
CID 65351117
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
(3R)-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 724290
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
(3S)-N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2664671
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
CID 41130628

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone (CID 43338535) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is XNWVIXOEGYQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3/c16-8-5-9(17)14(10(18)6-8)15(19)13-7-20-11-3-1-2-4-12(11)21-13/h1-6,13H,7H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 294.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 43338535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).