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

C11H20F3NO — CID 104992909

IUPAC4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCC1OC(C)C(C(N)CCC(F)(F)F)C1C
InChIInChI=1S/C11H20F3NO/c1-6-7(2)16-8(3)10(6)9(15)4-5-11(12,13)14/h6-10H,4-5,15H2,1-3H3
InChIKeyNUSYOGYGMUNCEI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds3

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

4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 104992909) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID104992909
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCC1OC(C)C(C(N)CCC(F)(F)F)C1C
InChIInChI=1S/C11H20F3NO/c1-6-7(2)16-8(3)10(6)9(15)4-5-11(12,13)14/h6-10H,4-5,15H2,1-3H3
InChIKeyNUSYOGYGMUNCEI-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
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-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 104992909) is 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is CC1OC(C)C(C(N)CCC(F)(F)F)C1C.
What is the InChIKey of 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is NUSYOGYGMUNCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-6-7(2)16-8(3)10(6)9(15)4-5-11(12,13)14/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 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-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).