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

C8H4F4O2 — CID 173112940

IUPAC2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(F)c2c(c1)OC(F)C(F)O2
InChIInChI=1S/C8H4F4O2/c9-3-1-4(10)6-5(2-3)13-7(11)8(12)14-6/h1-2,7-8H
InChIKeyFKMZZOGJDBBABY-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.33
Rot. Bonds

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

2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine (PubChem CID 173112940) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine
PubChem CID173112940
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine
SMILESFc1cc(F)c2c(c1)OC(F)C(F)O2
InChIInChI=1S/C8H4F4O2/c9-3-1-4(10)6-5(2-3)13-7(11)8(12)14-6/h1-2,7-8H
InChIKeyFKMZZOGJDBBABY-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-1,3-benzodioxole
CID 90413773
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
1,3,6-trifluorodibenzo-p-dioxin
CID 86179906
2-bromo-4,6-difluoro-1-benzofuran-3-one
CID 11322628
5,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83047450
(2R)-6,8-difluoro-2-methyl-4H-1,4-benzoxazin-3-one
CID 94975892
6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
CID 43536412
(2S)-7,9-difluoro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 166099755
5,7-difluoro-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 117050983
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738
methanol;2,4,6-trifluorophenol
CID 145053745

Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine (CID 173112940) is 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine is Fc1cc(F)c2c(c1)OC(F)C(F)O2.
What is the InChIKey of 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
The InChIKey is FKMZZOGJDBBABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-3-1-4(10)6-5(2-3)13-7(11)8(12)14-6/h1-2,7-8H.
What are the key properties of 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine?
2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine has a molecular weight of 208.11 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrafluoro-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 173112940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).