2-fluorooxaluminane

C4H8AlFO — CID 87257411

IUPAC2-fluorooxaluminane
SMILESF[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.FH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyCGHWLHZCYFIFLT-UHFFFAOYSA-M
MW118.09 g/mol
LogP1.25
Rot. Bonds

About 2-fluorooxaluminane

2-fluorooxaluminane (PubChem CID 87257411) has the molecular formula C4H8AlFO and a molecular weight of 118.09 g/mol. Its IUPAC name is 2-fluorooxaluminane.

Molecular Properties

Compound Name2-fluorooxaluminane
PubChem CID87257411
Molecular FormulaC4H8AlFO
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name2-fluorooxaluminane
SMILESF[Al]1CCCCO1
InChIInChI=1S/C4H8O.Al.FH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1
InChIKeyCGHWLHZCYFIFLT-UHFFFAOYSA-M
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorooxaluminane?
The IUPAC name of 2-fluorooxaluminane (CID 87257411) is 2-fluorooxaluminane.
What is the SMILES notation for 2-fluorooxaluminane?
The canonical SMILES for 2-fluorooxaluminane is F[Al]1CCCCO1.
What is the InChIKey of 2-fluorooxaluminane?
The InChIKey is CGHWLHZCYFIFLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O.Al.FH/c1-2-3-4-5;;/h1-4H2;;1H/q-1;+2;/p-1.
What are the key properties of 2-fluorooxaluminane?
2-fluorooxaluminane has a molecular weight of 118.09 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorooxaluminane is sourced from PubChem (CID 87257411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).