1,4-difluorobenzene;trichloroalumane

C6H4AlCl3F2 — CID 174965184

IUPAC1,4-difluorobenzene;trichloroalumane
SMILESCl[Al](Cl)Cl.Fc1ccc(F)cc1
InChIInChI=1S/C6H4F2.Al.3ClH/c7-5-1-2-6(8)4-3-5;;;;/h1-4H;;3*1H/q;+3;;;/p-3
InChIKeyGTZYOJQHOZZHGX-UHFFFAOYSA-K
MW247.44 g/mol
LogP3.65
Rot. Bonds

About 1,4-difluorobenzene;trichloroalumane

1,4-difluorobenzene;trichloroalumane (PubChem CID 174965184) has the molecular formula C6H4AlCl3F2 and a molecular weight of 247.44 g/mol. Its IUPAC name is 1,4-difluorobenzene;trichloroalumane.

Molecular Properties

Compound Name1,4-difluorobenzene;trichloroalumane
PubChem CID174965184
Molecular FormulaC6H4AlCl3F2
Molecular Weight247.44 g/mol
Exact Mass245.92
IUPAC Name1,4-difluorobenzene;trichloroalumane
SMILESCl[Al](Cl)Cl.Fc1ccc(F)cc1
InChIInChI=1S/C6H4F2.Al.3ClH/c7-5-1-2-6(8)4-3-5;;;;/h1-4H;;3*1H/q;+3;;;/p-3
InChIKeyGTZYOJQHOZZHGX-UHFFFAOYSA-K
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-difluorobenzene bromide
CID 21301175
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
chloro-tetrafluoro-(4-fluorophenyl)-λ6-sulfane;methane
CID 161299570
dichloro-tris(4-fluorophenyl)-λ5-phosphane
CID 22013252
CID 136679384
CID 136679384
dichloro-(4-fluorophenyl)borane
CID 119097665
4-fluorobenzenethiol
CID 158914451
tris(4-fluorophenyl)phosphanium
CID 23413715
fluorobenzene;1-(4-fluorophenyl)-2-methylpropan-1-one;2-methylpropanoyl chloride;trichloroalumane
CID 159184008
ethane;pentafluoro-(4-fluorophenyl)-λ6-sulfane
CID 178092886
chromium;1-fluoro-4-methylbenzene
CID 139244082
1,3-dideuterio-5-fluorobenzene
CID 101398226

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzene;trichloroalumane?
The IUPAC name of 1,4-difluorobenzene;trichloroalumane (CID 174965184) is 1,4-difluorobenzene;trichloroalumane.
What is the SMILES notation for 1,4-difluorobenzene;trichloroalumane?
The canonical SMILES for 1,4-difluorobenzene;trichloroalumane is Cl[Al](Cl)Cl.Fc1ccc(F)cc1.
What is the InChIKey of 1,4-difluorobenzene;trichloroalumane?
The InChIKey is GTZYOJQHOZZHGX-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H4F2.Al.3ClH/c7-5-1-2-6(8)4-3-5;;;;/h1-4H;;3*1H/q;+3;;;/p-3.
What are the key properties of 1,4-difluorobenzene;trichloroalumane?
1,4-difluorobenzene;trichloroalumane has a molecular weight of 247.44 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene;trichloroalumane is sourced from PubChem (CID 174965184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).