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

C19H8AlF9 — CID 177045721

IUPAC(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
SMILESCc1c(F)cc(F)c([Al](c2cc(F)cc(F)c2F)c2cc(F)cc(F)c2F)c1F
InChIInChI=1S/C7H4F3.2C6H2F3.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-4-1-2-5(8)6(9)3-4;/h2H,1H3;2*1,3H;
InChIKeyVPZNRFSGUBOKTB-UHFFFAOYSA-N
MW434.24 g/mol
LogP3.76
Rot. Bonds3

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

(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane (PubChem CID 177045721) has the molecular formula C19H8AlF9 and a molecular weight of 434.24 g/mol. Its IUPAC name is (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane.

Molecular Properties

Compound Name(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
PubChem CID177045721
Molecular FormulaC19H8AlF9
Molecular Weight434.24 g/mol
Exact Mass434.03
IUPAC Name(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
SMILESCc1c(F)cc(F)c([Al](c2cc(F)cc(F)c2F)c2cc(F)cc(F)c2F)c1F
InChIInChI=1S/C7H4F3.2C6H2F3.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-4-1-2-5(8)6(9)3-4;/h2H,1H3;2*1,3H;
InChIKeyVPZNRFSGUBOKTB-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.76
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

bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
CID 177045557
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
(2,3,4,5,6,7,8,9,10-nonafluoropyren-1-yl)-(4,5,7-trifluoronaphthalen-1-yl)-(2,3,5-trifluorophenyl)alumane
CID 141042568
(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
CID 177045878
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
3,5-difluoro-2-methylphenol
CID 20580699
3,5-difluoro-2,4-dimethylbenzenethiol
CID 175617271
1-(3,5-difluoro-2-methylphenyl)sulfanyl-3,5-difluoro-2-methylbenzene
CID 66729776
sodium tetrakis(3,5-difluoro-2-methylphenyl)boranuide
CID 139958515
(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
bis(2,4,6-trifluoro-3-methylphenyl)-[2,4,6-trifluoro-3-(trifluoromethyl)phenyl]borane
CID 159609966

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane?
The IUPAC name of (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane (CID 177045721) is (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane.
What is the SMILES notation for (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane?
The canonical SMILES for (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane is Cc1c(F)cc(F)c([Al](c2cc(F)cc(F)c2F)c2cc(F)cc(F)c2F)c1F.
What is the InChIKey of (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane?
The InChIKey is VPZNRFSGUBOKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.2C6H2F3.Al/c1-4-6(9)2-5(8)3-7(4)10;2*7-4-1-2-5(8)6(9)3-4;/h2H,1H3;2*1,3H;.
What are the key properties of (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane?
(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane has a molecular weight of 434.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane is sourced from PubChem (CID 177045721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).