bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane

C19H6AlF11 — CID 177045557

IUPACbis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
SMILESCc1c(F)cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c1F
InChIInChI=1S/C7H4F3.2C6HF4.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-3-1-4(8)6(10)2-5(3)9;/h2H,1H3;2*1H;
InChIKeyLEPIHDZLGKDPPP-UHFFFAOYSA-N
MW470.22 g/mol
LogP4.04
Rot. Bonds3

About bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane

bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane (PubChem CID 177045557) has the molecular formula C19H6AlF11 and a molecular weight of 470.22 g/mol. Its IUPAC name is bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane.

Molecular Properties

Compound Namebis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
PubChem CID177045557
Molecular FormulaC19H6AlF11
Molecular Weight470.22 g/mol
Exact Mass470.01
IUPAC Namebis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
SMILESCc1c(F)cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c1F
InChIInChI=1S/C7H4F3.2C6HF4.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-3-1-4(8)6(10)2-5(3)9;/h2H,1H3;2*1H;
InChIKeyLEPIHDZLGKDPPP-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.22
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
CID 177045721
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
CID 177045953
(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
CID 177045878
(2,4,6-trifluoro-3-methylphenyl)boronic acid
CID 24901772
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
3,5-difluoro-2,4-dimethylbenzenethiol
CID 175617271
(3,5-difluoro-2-formyl-4-methylphenyl)boronic acid
CID 155293780

Frequently Asked Questions

What is the IUPAC name of bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane?
The IUPAC name of bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane (CID 177045557) is bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane.
What is the SMILES notation for bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane?
The canonical SMILES for bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane is Cc1c(F)cc(F)c([Al](c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c1F.
What is the InChIKey of bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane?
The InChIKey is LEPIHDZLGKDPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.2C6HF4.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-3-1-4(8)6(10)2-5(3)9;/h2H,1H3;2*1H;.
What are the key properties of bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane?
bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane has a molecular weight of 470.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane is sourced from PubChem (CID 177045557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).