5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine

C13H24F3NO — CID 113327153

IUPAC5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1(C)CCCO1
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11(6-4-8-13(14,15)16)12(2)7-5-10-18-12/h11,17H,3-10H2,1-2H3
InChIKeyYJVXDVMJGQUFKV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds7

About 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 113327153) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
PubChem CID113327153
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1(C)CCCO1
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11(6-4-8-13(14,15)16)12(2)7-5-10-18-12/h11,17H,3-10H2,1-2H3
InChIKeyYJVXDVMJGQUFKV-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-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 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine (CID 113327153) is 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1(C)CCCO1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is YJVXDVMJGQUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-9-17-11(6-4-8-13(14,15)16)12(2)7-5-10-18-12/h11,17H,3-10H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 113327153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).