2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine

C11H20F3NO — CID 62566905

IUPAC2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCCCC1OCCNCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9-4-2-3-5-10(9)16-7-6-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyCSHJLDXETHWALD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine (PubChem CID 62566905) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine
PubChem CID62566905
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCCCC1OCCNCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9-4-2-3-5-10(9)16-7-6-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyCSHJLDXETHWALD-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine (CID 62566905) is 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine is CC1CCCCC1OCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine?
The InChIKey is CSHJLDXETHWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-4-2-3-5-10(9)16-7-6-15-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylcyclohexyl)oxyethyl]ethanamine is sourced from PubChem (CID 62566905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).