6-fluoro-2-propyloxaluminane

C7H14AlFO — CID 143389178

IUPAC6-fluoro-2-propyloxaluminane
SMILESCCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C3H7.Al/c1-2-3-4(5)6;1-3-2;/h4H,1-3H2;1,3H2,2H3;/q-1;;+1
InChIKeyNYAKNJIDHIAFGX-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.49
Rot. Bonds2

About 6-fluoro-2-propyloxaluminane

6-fluoro-2-propyloxaluminane (PubChem CID 143389178) has the molecular formula C7H14AlFO and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-fluoro-2-propyloxaluminane.

Molecular Properties

Compound Name6-fluoro-2-propyloxaluminane
PubChem CID143389178
Molecular FormulaC7H14AlFO
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name6-fluoro-2-propyloxaluminane
SMILESCCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C3H7.Al/c1-2-3-4(5)6;1-3-2;/h4H,1-3H2;1,3H2,2H3;/q-1;;+1
InChIKeyNYAKNJIDHIAFGX-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
2-(1-Fluoroethyl)oxaluminane
CID 87811102
2-Butyl-6-fluorooxaluminane
CID 143389186
2-(1-Fluorobutyl)oxaluminane
CID 173627985
2-Ethyl-6-fluorooxaluminane
CID 174515494
2-Propan-2-yloxaluminane
CID 87071972
2-Propyloxaluminane
CID 87110729

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propyloxaluminane?
The IUPAC name of 6-fluoro-2-propyloxaluminane (CID 143389178) is 6-fluoro-2-propyloxaluminane.
What is the SMILES notation for 6-fluoro-2-propyloxaluminane?
The canonical SMILES for 6-fluoro-2-propyloxaluminane is CCC[Al]1CCCC(F)O1.
What is the InChIKey of 6-fluoro-2-propyloxaluminane?
The InChIKey is NYAKNJIDHIAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO.C3H7.Al/c1-2-3-4(5)6;1-3-2;/h4H,1-3H2;1,3H2,2H3;/q-1;;+1.
What are the key properties of 6-fluoro-2-propyloxaluminane?
6-fluoro-2-propyloxaluminane has a molecular weight of 160.17 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propyloxaluminane is sourced from PubChem (CID 143389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).