dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane

C6AlCl2F5O — CID 139905988

IUPACdichloro-(2,3,4,5,6-pentafluorophenoxy)alumane
SMILESFc1c(F)c(F)c(O[Al](Cl)Cl)c(F)c1F
InChIInChI=1S/C6HF5O.Al.2ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;;2*1H/q;+3;;/p-3
InChIKeyINPSYJBOQAIAAR-UHFFFAOYSA-K
MW280.94 g/mol
LogP3.22
Rot. Bonds2

About dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane

dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane (PubChem CID 139905988) has the molecular formula C6AlCl2F5O and a molecular weight of 280.94 g/mol. Its IUPAC name is dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane.

Molecular Properties

Compound Namedichloro-(2,3,4,5,6-pentafluorophenoxy)alumane
PubChem CID139905988
Molecular FormulaC6AlCl2F5O
Molecular Weight280.94 g/mol
Exact Mass279.91
IUPAC Namedichloro-(2,3,4,5,6-pentafluorophenoxy)alumane
SMILESFc1c(F)c(F)c(O[Al](Cl)Cl)c(F)c1F
InChIInChI=1S/C6HF5O.Al.2ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;;2*1H/q;+3;;/p-3
InChIKeyINPSYJBOQAIAAR-UHFFFAOYSA-K
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.94
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

bis(2,3,4,5,6-pentafluorophenoxy)-pyrrol-1-ylalumane
CID 155625905
bis[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]-[2,3,5,6-tetrafluoro-4-(2,3,6-trifluoro-4,5-dimethylphenyl)phenoxy]alumane
CID 155713114
bis(2-methylphenyl)-(2,3,4,5,6-pentafluorophenoxy)alumane
CID 140617813
dioctyl-(2,3,4,5,6-pentafluorophenoxy)alumane
CID 87560332
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
CID 12954707
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
(4-chloro-2,3,5,6-tetrafluorophenyl) 2,3,4,5,6-pentafluorobenzenesulfonate
CID 15064544
ethane;1,2,3,4-tetrafluoro-5-methyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)peroxybenzene
CID 142023286
(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 132529451
(2,3,4,5,6-pentafluorophenoxy)methanol
CID 87333321
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629

Frequently Asked Questions

What is the IUPAC name of dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane?
The IUPAC name of dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane (CID 139905988) is dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane.
What is the SMILES notation for dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane?
The canonical SMILES for dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane is Fc1c(F)c(F)c(O[Al](Cl)Cl)c(F)c1F.
What is the InChIKey of dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane?
The InChIKey is INPSYJBOQAIAAR-UHFFFAOYSA-K. The full InChI is InChI=1S/C6HF5O.Al.2ClH/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;;2*1H/q;+3;;/p-3.
What are the key properties of dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane?
dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane has a molecular weight of 280.94 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2,3,4,5,6-pentafluorophenoxy)alumane is sourced from PubChem (CID 139905988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).