4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine

C11H20F3NO — CID 65328923

IUPAC4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h9-10,15H,2-8H2,1H3
InChIKeyJZRDQKUEHGFURA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65328923) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65328923
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h9-10,15H,2-8H2,1H3
InChIKeyJZRDQKUEHGFURA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65328923) is 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1CCCO1.
What is the InChIKey of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is JZRDQKUEHGFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-7-15-9(5-6-11(12,13)14)10-4-3-8-16-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 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-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65328923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).