5,7-difluoro-2,3-dihydro-1,4-benzodioxine

C8H6F2O2 — CID 123274623

IUPAC5,7-difluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C8H6F2O2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2
InChIKeyOANPKLMUBHZKTM-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.74
Rot. Bonds

About 5,7-difluoro-2,3-dihydro-1,4-benzodioxine

5,7-difluoro-2,3-dihydro-1,4-benzodioxine (PubChem CID 123274623) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 5,7-difluoro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5,7-difluoro-2,3-dihydro-1,4-benzodioxine
PubChem CID123274623
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name5,7-difluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C8H6F2O2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2
InChIKeyOANPKLMUBHZKTM-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-1,3-benzodioxole
CID 90413773
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117287632
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117302752
7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine;5-fluoro-2,3-dihydro-1,4-benzodioxine
CID 159702356
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
5,7-difluoro-3,4-dihydro-2H-chromene
CID 83397396
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117328174
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5,7-difluoro-2,3-dihydro-1,4-benzodioxine (CID 123274623) is 5,7-difluoro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5,7-difluoro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5,7-difluoro-2,3-dihydro-1,4-benzodioxine is Fc1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 5,7-difluoro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is OANPKLMUBHZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2.
What are the key properties of 5,7-difluoro-2,3-dihydro-1,4-benzodioxine?
5,7-difluoro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 172.13 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 123274623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).