8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine

C11H22F3NO — CID 103028745

IUPAC8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
SMILESCNC(CCCC(F)(F)F)CC(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-10(2,16-4)8-9(15-3)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyYLJIQGJQLUKAAF-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine

8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine (PubChem CID 103028745) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
PubChem CID103028745
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
SMILESCNC(CCCC(F)(F)F)CC(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-10(2,16-4)8-9(15-3)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyYLJIQGJQLUKAAF-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-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 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine (CID 103028745) is 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine is CNC(CCCC(F)(F)F)CC(C)(C)OC.
What is the InChIKey of 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine?
The InChIKey is YLJIQGJQLUKAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,16-4)8-9(15-3)6-5-7-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine?
8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine is sourced from PubChem (CID 103028745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).