2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine

C11H20F3NO — CID 103906287

IUPAC2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine
SMILESCC(CC(F)(F)F)NC1CC(C)OC(C)C1
InChIInChI=1S/C11H20F3NO/c1-7(6-11(12,13)14)15-10-4-8(2)16-9(3)5-10/h7-10,15H,4-6H2,1-3H3
InChIKeySEGJFWYYQKSLTK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds3

About 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine

2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine (PubChem CID 103906287) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine
PubChem CID103906287
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine
SMILESCC(CC(F)(F)F)NC1CC(C)OC(C)C1
InChIInChI=1S/C11H20F3NO/c1-7(6-11(12,13)14)15-10-4-8(2)16-9(3)5-10/h7-10,15H,4-6H2,1-3H3
InChIKeySEGJFWYYQKSLTK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,6-trimethyloxan-4-amine
CID 70343666
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
(2R)-N-methyl-2-(trifluoromethyl)oxan-4-amine
CID 166854554
N-propan-2-yl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 169842777
2-fluoro-2-methyl-N-propan-2-yloxan-4-amine
CID 169874641
2,2-difluoro-N-propan-2-yloxan-4-amine
CID 169874917
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
(2S)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077847
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077849
2-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 43149931
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine (CID 103906287) is 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine is CC(CC(F)(F)F)NC1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine?
The InChIKey is SEGJFWYYQKSLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7(6-11(12,13)14)15-10-4-8(2)16-9(3)5-10/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine?
2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)oxan-4-amine is sourced from PubChem (CID 103906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).