2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine

C12H24F3NO — CID 106706013

IUPAC2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-4-6-7-11(5-2,8-16-3)9-17-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyNYOPJNYKSAIMRM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine

2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine (PubChem CID 106706013) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
PubChem CID106706013
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
SMILESCCCCC(CC)(CNC)COCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-4-6-7-11(5-2,8-16-3)9-17-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyNYOPJNYKSAIMRM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine (CID 106706013) is 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine is CCCCC(CC)(CNC)COCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The InChIKey is NYOPJNYKSAIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-6-7-11(5-2,8-16-3)9-17-10-12(13,14)15/h16H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine is sourced from PubChem (CID 106706013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).