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

C13H26FNO — CID 114624518

IUPAC2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26FNO/c1-9(2)13(14,8-15)10-7-11(3,4)16-12(10,5)6/h9-10H,7-8,15H2,1-6H3
InChIKeyZOFWQWRKZUALFX-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.90
Rot. Bonds3

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

2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114624518) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114624518
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H26FNO/c1-9(2)13(14,8-15)10-7-11(3,4)16-12(10,5)6/h9-10H,7-8,15H2,1-6H3
InChIKeyZOFWQWRKZUALFX-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114624518) is 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CC(C)C(F)(CN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is ZOFWQWRKZUALFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-9(2)13(14,8-15)10-7-11(3,4)16-12(10,5)6/h9-10H,7-8,15H2,1-6H3.
What are the key properties of 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 231.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114624518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).