2-(1-fluoroethyl)oxaluminane

C6H12AlFO — CID 87811102

IUPAC2-(1-fluoroethyl)oxaluminane
SMILESCC(F)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C2H4F.Al/c1-2-3-4-5;1-2-3;/h1-4H2;2H,1H3;/q-1;;+1
InChIKeySSXACNZSCIAOMY-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.69
Rot. Bonds1

About 2-(1-fluoroethyl)oxaluminane

2-(1-fluoroethyl)oxaluminane (PubChem CID 87811102) has the molecular formula C6H12AlFO and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(1-fluoroethyl)oxaluminane.

Molecular Properties

Compound Name2-(1-fluoroethyl)oxaluminane
PubChem CID87811102
Molecular FormulaC6H12AlFO
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2-(1-fluoroethyl)oxaluminane
SMILESCC(F)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C2H4F.Al/c1-2-3-4-5;1-2-3;/h1-4H2;2H,1H3;/q-1;;+1
InChIKeySSXACNZSCIAOMY-UHFFFAOYSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)oxaluminane?
The IUPAC name of 2-(1-fluoroethyl)oxaluminane (CID 87811102) is 2-(1-fluoroethyl)oxaluminane.
What is the SMILES notation for 2-(1-fluoroethyl)oxaluminane?
The canonical SMILES for 2-(1-fluoroethyl)oxaluminane is CC(F)[Al]1CCCCO1.
What is the InChIKey of 2-(1-fluoroethyl)oxaluminane?
The InChIKey is SSXACNZSCIAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H4F.Al/c1-2-3-4-5;1-2-3;/h1-4H2;2H,1H3;/q-1;;+1.
What are the key properties of 2-(1-fluoroethyl)oxaluminane?
2-(1-fluoroethyl)oxaluminane has a molecular weight of 146.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)oxaluminane is sourced from PubChem (CID 87811102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).