4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C12H22F3NO — CID 114623314

IUPAC4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCC1(C)CC(C(N)CCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO/c1-10(2)7-8(11(3,4)17-10)9(16)5-6-12(13,14)15/h8-9H,5-7,16H2,1-4H3
InChIKeyUGEFPUMYGLXYOO-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds3

About 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623314) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623314
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCC1(C)CC(C(N)CCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C12H22F3NO/c1-10(2)7-8(11(3,4)17-10)9(16)5-6-12(13,14)15/h8-9H,5-7,16H2,1-4H3
InChIKeyUGEFPUMYGLXYOO-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623314) is 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CC1(C)CC(C(N)CCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is UGEFPUMYGLXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)7-8(11(3,4)17-10)9(16)5-6-12(13,14)15/h8-9H,5-7,16H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).