1-fluoro-3,5-dimethoxybenzene

C8H9FO2 — CID 2774257

IUPAC1-fluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)cc(OC)c1
InChIInChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyIWFKMNAEFPEIOY-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.84
Rot. Bonds2

About 1-fluoro-3,5-dimethoxybenzene

1-fluoro-3,5-dimethoxybenzene (PubChem CID 2774257) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-fluoro-3,5-dimethoxybenzene
PubChem CID2774257
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name1-fluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)cc(OC)c1
InChIInChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKeyIWFKMNAEFPEIOY-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethoxybenzene?
The IUPAC name of 1-fluoro-3,5-dimethoxybenzene (CID 2774257) is 1-fluoro-3,5-dimethoxybenzene.
What is the SMILES notation for 1-fluoro-3,5-dimethoxybenzene?
The canonical SMILES for 1-fluoro-3,5-dimethoxybenzene is COc1cc(F)cc(OC)c1.
What is the InChIKey of 1-fluoro-3,5-dimethoxybenzene?
The InChIKey is IWFKMNAEFPEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3.
What are the key properties of 1-fluoro-3,5-dimethoxybenzene?
1-fluoro-3,5-dimethoxybenzene has a molecular weight of 156.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethoxybenzene is sourced from PubChem (CID 2774257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).