1-(2,6-difluorophenyl)-2,3-difluorobenzene

C12H6F4 — CID 91080743

IUPAC1-(2,6-difluorophenyl)-2,3-difluorobenzene
SMILESFc1cccc(-c2c(F)cccc2F)c1F
InChIInChI=1S/C12H6F4/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6H
InChIKeyJMXYWVAXSIEQBJ-UHFFFAOYSA-N
MW226.17 g/mol
LogP3.91
Rot. Bonds1

About 1-(2,6-difluorophenyl)-2,3-difluorobenzene

1-(2,6-difluorophenyl)-2,3-difluorobenzene (PubChem CID 91080743) has the molecular formula C12H6F4 and a molecular weight of 226.17 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2,3-difluorobenzene
PubChem CID91080743
Molecular FormulaC12H6F4
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Name1-(2,6-difluorophenyl)-2,3-difluorobenzene
SMILESFc1cccc(-c2c(F)cccc2F)c1F
InChIInChI=1S/C12H6F4/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6H
InChIKeyJMXYWVAXSIEQBJ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2,6-difluorophenyl)-2,3-difluorobenzene (CID 91080743) is 1-(2,6-difluorophenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2,6-difluorophenyl)-2,3-difluorobenzene is Fc1cccc(-c2c(F)cccc2F)c1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2,3-difluorobenzene?
The InChIKey is JMXYWVAXSIEQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6H.
What are the key properties of 1-(2,6-difluorophenyl)-2,3-difluorobenzene?
1-(2,6-difluorophenyl)-2,3-difluorobenzene has a molecular weight of 226.17 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2,3-difluorobenzene is sourced from PubChem (CID 91080743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).