N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine

C13H24F3NO — CID 55106594

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-10-12(6-4-3-5-7-12)8-9-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyWJQFPOJHWHEABS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.52
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine (PubChem CID 55106594) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
PubChem CID55106594
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-10-12(6-4-3-5-7-12)8-9-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyWJQFPOJHWHEABS-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine (CID 55106594) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine is CCNCC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine?
The InChIKey is WJQFPOJHWHEABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-17-10-12(6-4-3-5-7-12)8-9-18-11-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 55106594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).