2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

C16H12ClFO3 — CID 105135675

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cccc2c1OCCO2
InChIInChI=1S/C16H12ClFO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9H,6-8H2
InChIKeyOYLOAVYIWBIJIS-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (PubChem CID 105135675) has the molecular formula C16H12ClFO3 and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
PubChem CID105135675
Molecular FormulaC16H12ClFO3
Molecular Weight306.72 g/mol
Exact Mass306.05
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cccc2c1OCCO2
InChIInChI=1S/C16H12ClFO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9H,6-8H2
InChIKeyOYLOAVYIWBIJIS-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 61078419
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105412185
2-(5-chloro-2-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 103052467
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-2-ylethanone
CID 61056888
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105128880
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-difluorophenyl)ethanone
CID 104544722
2-(2,5-difluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610587
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (CID 105135675) is 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is O=C(Cc1ccc(Cl)cc1F)c1cccc2c1OCCO2.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The InChIKey is OYLOAVYIWBIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9H,6-8H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone has a molecular weight of 306.72 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is sourced from PubChem (CID 105135675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).