4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine

C11H20F3NO — CID 65330147

IUPAC4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3
InChIKeySBRSZJTUXKRZEY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine (PubChem CID 65330147) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine
PubChem CID65330147
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCOC1
InChIInChI=1S/C11H20F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3
InChIKeySBRSZJTUXKRZEY-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(oxolan-3-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-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine (CID 65330147) is 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1CCOC1.
What is the InChIKey of 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine?
The InChIKey is SBRSZJTUXKRZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(oxolan-3-yl)-N-propylbutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 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-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65330147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).