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

C16H12F2O3 — CID 105412185

IUPAC2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H12F2O3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9H,4-5,8H2
InChIKeyYHVMZZVUCUHIPU-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.16
Rot. Bonds3

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

2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (PubChem CID 105412185) has the molecular formula C16H12F2O3 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
PubChem CID105412185
Molecular FormulaC16H12F2O3
Molecular Weight290.26 g/mol
Exact Mass290.08
IUPAC Name2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H12F2O3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9H,4-5,8H2
InChIKeyYHVMZZVUCUHIPU-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.16
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-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105135675
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105128880
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-2-ylethanone
CID 61056888
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90363738
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione
CID 90363742
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062740
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120682
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (CID 105412185) is 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1cccc2c1OCCO2.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The InChIKey is YHVMZZVUCUHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O3/c17-11-6-10(7-12(18)9-11)8-14(19)13-2-1-3-15-16(13)21-5-4-20-15/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone has a molecular weight of 290.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is sourced from PubChem (CID 105412185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).