6-fluoro-2-(2-methylpropyl)oxaluminane

C8H16AlFO — CID 87807496

IUPAC6-fluoro-2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-4(2)3;/h4H,1-3H2;4H,1H2,2-3H3;/q-1;;+1
InChIKeyAMAJABSJTSFART-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.74
Rot. Bonds2

About 6-fluoro-2-(2-methylpropyl)oxaluminane

6-fluoro-2-(2-methylpropyl)oxaluminane (PubChem CID 87807496) has the molecular formula C8H16AlFO and a molecular weight of 174.19 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylpropyl)oxaluminane.

Molecular Properties

Compound Name6-fluoro-2-(2-methylpropyl)oxaluminane
PubChem CID87807496
Molecular FormulaC8H16AlFO
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name6-fluoro-2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-4(2)3;/h4H,1-3H2;4H,1H2,2-3H3;/q-1;;+1
InChIKeyAMAJABSJTSFART-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutylalumoxane
CID 87063602
t-Butylaluminoxane
CID 87070300
2-(1-Fluoro-2-methylpropyl)oxaluminane
CID 143389176
6-Fluoro-2-hexyloxaluminane
CID 143389182
2-Butyl-6-fluorooxaluminane
CID 143389186
2-(1-Fluorobutyl)oxaluminane
CID 173627985
2-(2,2-Dimethylpropyl)oxaluminane
CID 87069958
2-(3-Methylbutyl)oxaluminane
CID 87069970
2-(2,3-Dimethylbutyl)oxaluminane
CID 87148594
2-(3-Methylbutan-2-yl)oxaluminane
CID 87358960
CID 88222962
CID 88222962
CID 88635562
CID 88635562

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-methylpropyl)oxaluminane?
The IUPAC name of 6-fluoro-2-(2-methylpropyl)oxaluminane (CID 87807496) is 6-fluoro-2-(2-methylpropyl)oxaluminane.
What is the SMILES notation for 6-fluoro-2-(2-methylpropyl)oxaluminane?
The canonical SMILES for 6-fluoro-2-(2-methylpropyl)oxaluminane is CC(C)C[Al]1CCCC(F)O1.
What is the InChIKey of 6-fluoro-2-(2-methylpropyl)oxaluminane?
The InChIKey is AMAJABSJTSFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-4(2)3;/h4H,1-3H2;4H,1H2,2-3H3;/q-1;;+1.
What are the key properties of 6-fluoro-2-(2-methylpropyl)oxaluminane?
6-fluoro-2-(2-methylpropyl)oxaluminane has a molecular weight of 174.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methylpropyl)oxaluminane is sourced from PubChem (CID 87807496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).