2-(1-fluoro-2-methylpropyl)oxaluminane

C8H16AlFO — CID 143389176

IUPAC2-(1-fluoro-2-methylpropyl)oxaluminane
SMILESCC(C)C(F)[Al]1CCCCO1
InChIInChI=1S/C4H8F.C4H8O.Al/c1-4(2)3-5;1-2-3-4-5;/h3-4H,1-2H3;1-4H2;/q;-1;+1
InChIKeyWUUJASKLNJZGFU-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.32
Rot. Bonds2

About 2-(1-fluoro-2-methylpropyl)oxaluminane

2-(1-fluoro-2-methylpropyl)oxaluminane (PubChem CID 143389176) has the molecular formula C8H16AlFO and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-(1-fluoro-2-methylpropyl)oxaluminane.

Molecular Properties

Compound Name2-(1-fluoro-2-methylpropyl)oxaluminane
PubChem CID143389176
Molecular FormulaC8H16AlFO
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2-(1-fluoro-2-methylpropyl)oxaluminane
SMILESCC(C)C(F)[Al]1CCCCO1
InChIInChI=1S/C4H8F.C4H8O.Al/c1-4(2)3-5;1-2-3-4-5;/h3-4H,1-2H3;1-4H2;/q;-1;+1
InChIKeyWUUJASKLNJZGFU-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-2-methylpropyl)oxaluminane?
The IUPAC name of 2-(1-fluoro-2-methylpropyl)oxaluminane (CID 143389176) is 2-(1-fluoro-2-methylpropyl)oxaluminane.
What is the SMILES notation for 2-(1-fluoro-2-methylpropyl)oxaluminane?
The canonical SMILES for 2-(1-fluoro-2-methylpropyl)oxaluminane is CC(C)C(F)[Al]1CCCCO1.
What is the InChIKey of 2-(1-fluoro-2-methylpropyl)oxaluminane?
The InChIKey is WUUJASKLNJZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F.C4H8O.Al/c1-4(2)3-5;1-2-3-4-5;/h3-4H,1-2H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(1-fluoro-2-methylpropyl)oxaluminane?
2-(1-fluoro-2-methylpropyl)oxaluminane has a molecular weight of 174.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-2-methylpropyl)oxaluminane is sourced from PubChem (CID 143389176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).