(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene

C6H6AlCl5F8 — CID 157097501

IUPAC(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene
SMILESCl[Al](Cl)Cl.F/C=C(\F)Cl.FC=C(F)F.FCCl.FCF
InChIInChI=1S/C2HClF2.C2HF3.CH2ClF.CH2F2.Al.3ClH/c3-2(5)1-4;3-1-2(4)5;2*2-1-3;;;;/h2*1H;2*1H2;;3*1H/q;;;;+3;;;/p-3/b2-1-;;;;;;;
InChIKeyAFJNHZMAIVLLOK-CRJLSQNGSA-K
MW434.35 g/mol
LogP7.38
Rot. Bonds

About (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene

(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene (PubChem CID 157097501) has the molecular formula C6H6AlCl5F8 and a molecular weight of 434.35 g/mol. Its IUPAC name is (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene.

Molecular Properties

Compound Name(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene
PubChem CID157097501
Molecular FormulaC6H6AlCl5F8
Molecular Weight434.35 g/mol
Exact Mass431.86
IUPAC Name(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene
SMILESCl[Al](Cl)Cl.F/C=C(\F)Cl.FC=C(F)F.FCCl.FCF
InChIInChI=1S/C2HClF2.C2HF3.CH2ClF.CH2F2.Al.3ClH/c3-2(5)1-4;3-1-2(4)5;2*2-1-3;;;;/h2*1H;2*1H2;;3*1H/q;;;;+3;;;/p-3/b2-1-;;;;;;;
InChIKeyAFJNHZMAIVLLOK-CRJLSQNGSA-K
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene?
The IUPAC name of (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene (CID 157097501) is (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene.
What is the SMILES notation for (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene?
The canonical SMILES for (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene is Cl[Al](Cl)Cl.F/C=C(\F)Cl.FC=C(F)F.FCCl.FCF.
What is the InChIKey of (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene?
The InChIKey is AFJNHZMAIVLLOK-CRJLSQNGSA-K. The full InChI is InChI=1S/C2HClF2.C2HF3.CH2ClF.CH2F2.Al.3ClH/c3-2(5)1-4;3-1-2(4)5;2*2-1-3;;;;/h2*1H;2*1H2;;3*1H/q;;;;+3;;;/p-3/b2-1-;;;;;;;.
What are the key properties of (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene?
(E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene has a molecular weight of 434.35 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-1,2-difluoroethene;chloro(fluoro)methane;difluoromethane;trichloroalumane;1,1,2-trifluoroethene is sourced from PubChem (CID 157097501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).