(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane

C18H9AlF8 — CID 177045617

IUPAC(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane
SMILESFC1=CC=CC(F)([Al](c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/2C6H2F3.C6H5F2.Al/c2*7-4-1-5(8)3-6(9)2-4;7-5-2-1-3-6(8)4-5;/h2*1-2H;1-3H,4H2;
InChIKeyZCEVEOJTEUTANA-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.19
Rot. Bonds3

About (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane

(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane (PubChem CID 177045617) has the molecular formula C18H9AlF8 and a molecular weight of 404.24 g/mol. Its IUPAC name is (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane.

Molecular Properties

Compound Name(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane
PubChem CID177045617
Molecular FormulaC18H9AlF8
Molecular Weight404.24 g/mol
Exact Mass404.04
IUPAC Name(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane
SMILESFC1=CC=CC(F)([Al](c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)C1
InChIInChI=1S/2C6H2F3.C6H5F2.Al/c2*7-4-1-5(8)3-6(9)2-4;7-5-2-1-3-6(8)4-5;/h2*1-2H;1-3H,4H2;
InChIKeyZCEVEOJTEUTANA-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane?
The IUPAC name of (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane (CID 177045617) is (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane.
What is the SMILES notation for (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane?
The canonical SMILES for (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane is FC1=CC=CC(F)([Al](c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)C1.
What is the InChIKey of (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane?
The InChIKey is ZCEVEOJTEUTANA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H2F3.C6H5F2.Al/c2*7-4-1-5(8)3-6(9)2-4;7-5-2-1-3-6(8)4-5;/h2*1-2H;1-3H,4H2;.
What are the key properties of (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane?
(1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane has a molecular weight of 404.24 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-difluorocyclohexa-2,4-dien-1-yl)-bis(2,4,6-trifluorophenyl)alumane is sourced from PubChem (CID 177045617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).