5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine

C12H14F2O4 — CID 99827780

IUPAC5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine
SMILESFC(F)COCCOc1cccc2c1OCCO2
InChIInChI=1S/C12H14F2O4/c13-11(14)8-15-4-5-16-9-2-1-3-10-12(9)18-7-6-17-10/h1-3,11H,4-8H2
InChIKeyXHZBFDKHYYFGLP-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.12
Rot. Bonds6

About 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine

5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine (PubChem CID 99827780) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine
PubChem CID99827780
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine
SMILESFC(F)COCCOc1cccc2c1OCCO2
InChIInChI=1S/C12H14F2O4/c13-11(14)8-15-4-5-16-9-2-1-3-10-12(9)18-7-6-17-10/h1-3,11H,4-8H2
InChIKeyXHZBFDKHYYFGLP-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)ethanamine
CID 103081223
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295
3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-N-ethylpropan-1-amine chloride
CID 21228871
1-bromo-3-[2-(2,2-difluoroethoxy)ethoxy]-2-fluorobenzene
CID 167882295
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine;hydrochloride
CID 122199548
[(2S)-3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7372980
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione
CID 70118493
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
CID 22974648
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-methylpropanenitrile
CID 121002738
1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(1H-indol-4-yloxy)propan-2-ol
CID 166212862
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine (CID 99827780) is 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine is FC(F)COCCOc1cccc2c1OCCO2.
What is the InChIKey of 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is XHZBFDKHYYFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c13-11(14)8-15-4-5-16-9-2-1-3-10-12(9)18-7-6-17-10/h1-3,11H,4-8H2.
What are the key properties of 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine?
5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 260.24 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-difluoroethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 99827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).