1,2,4,5-tetrafluoro-3,6-dimethoxybenzene

C8H6F4O2 — CID 607045

IUPAC1,2,4,5-tetrafluoro-3,6-dimethoxybenzene
SMILESCOc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChIKeyWQXKGOOORHDGFP-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.26
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene

1,2,4,5-tetrafluoro-3,6-dimethoxybenzene (PubChem CID 607045) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-dimethoxybenzene
PubChem CID607045
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name1,2,4,5-tetrafluoro-3,6-dimethoxybenzene
SMILESCOc1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChIKeyWQXKGOOORHDGFP-UHFFFAOYSA-N
XLogP2.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene (CID 607045) is 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene is COc1c(F)c(F)c(OC)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene?
The InChIKey is WQXKGOOORHDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene?
1,2,4,5-tetrafluoro-3,6-dimethoxybenzene has a molecular weight of 210.13 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene is sourced from PubChem (CID 607045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).