2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C12H24FNO — CID 114624516

IUPAC2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCC(F)(CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24FNO/c1-6-12(13,8-14)9-7-10(2,3)15-11(9,4)5/h9H,6-8,14H2,1-5H3
InChIKeyQXXJPMJJOSBIPX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114624516) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114624516
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCC(F)(CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24FNO/c1-6-12(13,8-14)9-7-10(2,3)15-11(9,4)5/h9H,6-8,14H2,1-5H3
InChIKeyQXXJPMJJOSBIPX-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114624516) is 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCC(F)(CN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is QXXJPMJJOSBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-6-12(13,8-14)9-7-10(2,3)15-11(9,4)5/h9H,6-8,14H2,1-5H3.
What are the key properties of 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114624516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).