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

C12H6F4 — CID 13068684

IUPAC2-(2,6-difluorophenyl)-1,3-difluorobenzene
SMILESFc1cccc(F)c1-c1c(F)cccc1F
InChIInChI=1S/C12H6F4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyZLWVAKVIJUXDTO-UHFFFAOYSA-N
MW226.17 g/mol
LogP3.91
Rot. Bonds1

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

2-(2,6-difluorophenyl)-1,3-difluorobenzene (PubChem CID 13068684) has the molecular formula C12H6F4 and a molecular weight of 226.17 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-difluorobenzene
PubChem CID13068684
Molecular FormulaC12H6F4
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Name2-(2,6-difluorophenyl)-1,3-difluorobenzene
SMILESFc1cccc(F)c1-c1c(F)cccc1F
InChIInChI=1S/C12H6F4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
InChIKeyZLWVAKVIJUXDTO-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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Related Compounds

3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine
CID 23362742
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
6,13-bis(2,6-difluorophenyl)pentacene
CID 101480945
1,2,3-trifluorobenzene
CID 15147
4,5-difluoro-9H-fluoren-9-amine
CID 82578575
1,8-difluoroanthracene-9,10-dione
CID 10911747
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
4-(2,6-difluorophenyl)phenol
CID 53218545
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
(2,6-difluorophenyl)alumane
CID 175341718
CID 95476507
CID 95476507

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3-difluorobenzene?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-difluorobenzene (CID 13068684) is 2-(2,6-difluorophenyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-difluorobenzene is Fc1cccc(F)c1-c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-difluorobenzene?
The InChIKey is ZLWVAKVIJUXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H.
What are the key properties of 2-(2,6-difluorophenyl)-1,3-difluorobenzene?
2-(2,6-difluorophenyl)-1,3-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 2-(2,6-difluorophenyl)-1,3-difluorobenzene is sourced from PubChem (CID 13068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).