dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane

C14H20AlF3 — CID 19904947

IUPACdipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane
SMILESCCC[Al](CCC)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H6F3.2C3H7.Al/c1-6-4-2-3-5-7(6)8(9,10)11;2*1-3-2;/h2-5H,1H2;2*1,3H2,2H3;
InChIKeyCMSYXGZBLMQAFR-UHFFFAOYSA-N
MW272.29 g/mol
LogP5.10
Rot. Bonds6

About dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane

dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane (PubChem CID 19904947) has the molecular formula C14H20AlF3 and a molecular weight of 272.29 g/mol. Its IUPAC name is dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane.

Molecular Properties

Compound Namedipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane
PubChem CID19904947
Molecular FormulaC14H20AlF3
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Namedipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane
SMILESCCC[Al](CCC)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C8H6F3.2C3H7.Al/c1-6-4-2-3-5-7(6)8(9,10)11;2*1-3-2;/h2-5H,1H2;2*1,3H2,2H3;
InChIKeyCMSYXGZBLMQAFR-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.29
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
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1-[2-(trifluoromethyl)phenyl]hexan-3-one
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N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
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1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
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CID 70254547
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
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1-(2-methoxypentyl)-2-(trifluoromethyl)benzene
CID 154551789
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Frequently Asked Questions

What is the IUPAC name of dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane?
The IUPAC name of dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane (CID 19904947) is dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane.
What is the SMILES notation for dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane?
The canonical SMILES for dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane is CCC[Al](CCC)Cc1ccccc1C(F)(F)F.
What is the InChIKey of dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane?
The InChIKey is CMSYXGZBLMQAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3.2C3H7.Al/c1-6-4-2-3-5-7(6)8(9,10)11;2*1-3-2;/h2-5H,1H2;2*1,3H2,2H3;.
What are the key properties of dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane?
dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane has a molecular weight of 272.29 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane is sourced from PubChem (CID 19904947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).