[3-(trifluoromethyl)phenyl]aluminum(2+)

C7H4AlF3+2 — CID 87243472

IUPAC[3-(trifluoromethyl)phenyl]aluminum(2+)
SMILESFC(F)(F)c1cccc([Al+2])c1
InChIInChI=1S/C7H4F3.Al/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q;+2
InChIKeyQPYNOIGINUSROY-UHFFFAOYSA-N
MW172.09 g/mol
LogP1.50
Rot. Bonds

About [3-(trifluoromethyl)phenyl]aluminum(2+)

[3-(trifluoromethyl)phenyl]aluminum(2+) (PubChem CID 87243472) has the molecular formula C7H4AlF3+2 and a molecular weight of 172.09 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]aluminum(2+).

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]aluminum(2+)
PubChem CID87243472
Molecular FormulaC7H4AlF3+2
Molecular Weight172.09 g/mol
Exact Mass172.01
IUPAC Name[3-(trifluoromethyl)phenyl]aluminum(2+)
SMILESFC(F)(F)c1cccc([Al+2])c1
InChIInChI=1S/C7H4F3.Al/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q;+2
InChIKeyQPYNOIGINUSROY-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
CID 15496127
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
3-(trifluoromethyl)benzenethiolate
CID 6930699
CID 57448987
CID 57448987
CID 86152769
CID 86152769
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
bis[3-(trifluoromethyl)phenyl]iodanium tetrafluoroborate
CID 155979684
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
CID 102081817
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]aluminum(2+)?
The IUPAC name of [3-(trifluoromethyl)phenyl]aluminum(2+) (CID 87243472) is [3-(trifluoromethyl)phenyl]aluminum(2+).
What is the SMILES notation for [3-(trifluoromethyl)phenyl]aluminum(2+)?
The canonical SMILES for [3-(trifluoromethyl)phenyl]aluminum(2+) is FC(F)(F)c1cccc([Al+2])c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]aluminum(2+)?
The InChIKey is QPYNOIGINUSROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.Al/c8-7(9,10)6-4-2-1-3-5-6;/h1-2,4-5H;/q;+2.
What are the key properties of [3-(trifluoromethyl)phenyl]aluminum(2+)?
[3-(trifluoromethyl)phenyl]aluminum(2+) has a molecular weight of 172.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]aluminum(2+) is sourced from PubChem (CID 87243472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).