5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

C11H22F3NO2 — CID 103216590

IUPAC5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(2,16-4)6-5-9(15-3)7-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyPKJGFWBQWDBWQE-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds8

About 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 103216590) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID103216590
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(2,16-4)6-5-9(15-3)7-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyPKJGFWBQWDBWQE-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 103216590) is 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is CNC(CCC(C)(C)OC)COCC(F)(F)F.
What is the InChIKey of 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is PKJGFWBQWDBWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-10(2,16-4)6-5-9(15-3)7-17-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 103216590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).