1-(2,2-diethoxyethoxy)-3,5-difluorobenzene

C12H16F2O3 — CID 63628941

IUPAC1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
SMILESCCOC(COc1cc(F)cc(F)c1)OCC
InChIInChI=1S/C12H16F2O3/c1-3-15-12(16-4-2)8-17-11-6-9(13)5-10(14)7-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyZFPVFDXGZQMHJB-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.74
Rot. Bonds7

About 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene

1-(2,2-diethoxyethoxy)-3,5-difluorobenzene (PubChem CID 63628941) has the molecular formula C12H16F2O3 and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
PubChem CID63628941
Molecular FormulaC12H16F2O3
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
SMILESCCOC(COc1cc(F)cc(F)c1)OCC
InChIInChI=1S/C12H16F2O3/c1-3-15-12(16-4-2)8-17-11-6-9(13)5-10(14)7-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyZFPVFDXGZQMHJB-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene?
The IUPAC name of 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene (CID 63628941) is 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene.
What is the SMILES notation for 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene?
The canonical SMILES for 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene is CCOC(COc1cc(F)cc(F)c1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene?
The InChIKey is ZFPVFDXGZQMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3/c1-3-15-12(16-4-2)8-17-11-6-9(13)5-10(14)7-11/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene?
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene has a molecular weight of 246.25 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethoxy)-3,5-difluorobenzene is sourced from PubChem (CID 63628941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).