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

C12H24F3NO2 — CID 103216586

IUPACN-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-5-16-10(6-7-11(2,3)17-4)8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPJGFNKDDQVRPDM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds9

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

N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 103216586) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID103216586
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC NameN-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCNC(CCC(C)(C)OC)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO2/c1-5-16-10(6-7-11(2,3)17-4)8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPJGFNKDDQVRPDM-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 103216586) is N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is CCNC(CCC(C)(C)OC)COCC(F)(F)F.
What is the InChIKey of N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is PJGFNKDDQVRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-5-16-10(6-7-11(2,3)17-4)8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 271.32 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 103216586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).