1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone

C11H10F2O3 — CID 84691746

IUPAC1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
SMILESCC(=O)c1cc(C(F)F)cc2c1OCCO2
InChIInChI=1S/C11H10F2O3/c1-6(14)8-4-7(11(12)13)5-9-10(8)16-3-2-15-9/h4-5,11H,2-3H2,1H3
InChIKeyPQODKNSSFPGCOK-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.60
Rot. Bonds2

About 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone

1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone (PubChem CID 84691746) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone.

Molecular Properties

Compound Name1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
PubChem CID84691746
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
SMILESCC(=O)c1cc(C(F)F)cc2c1OCCO2
InChIInChI=1S/C11H10F2O3/c1-6(14)8-4-7(11(12)13)5-9-10(8)16-3-2-15-9/h4-5,11H,2-3H2,1H3
InChIKeyPQODKNSSFPGCOK-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-oxoacetic acid
CID 117361782
2-amino-1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]propan-1-one
CID 84703739
2-amino-3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117435269
1-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-2-one
CID 84700657
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 131177273
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117328174
3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117396093
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopentan-1-amine
CID 117426242
O-[2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117364283
2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 84693299
1-[3-bromo-5-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573369
1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethanone
CID 84666658

Frequently Asked Questions

What is the IUPAC name of 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone?
The IUPAC name of 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone (CID 84691746) is 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone.
What is the SMILES notation for 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone?
The canonical SMILES for 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone is CC(=O)c1cc(C(F)F)cc2c1OCCO2.
What is the InChIKey of 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone?
The InChIKey is PQODKNSSFPGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c1-6(14)8-4-7(11(12)13)5-9-10(8)16-3-2-15-9/h4-5,11H,2-3H2,1H3.
What are the key properties of 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone?
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone has a molecular weight of 228.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone is sourced from PubChem (CID 84691746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).