2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 65050555

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(OCC(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-9(17)6-18-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyAZRICAOMNQTOOP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65050555) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65050555
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(OCC(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-9(17)6-18-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyAZRICAOMNQTOOP-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65050555) is 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is NCC1(OCC(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AZRICAOMNQTOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-9(17)6-18-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65050555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).