3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C11H19F3N2O2 — CID 43698422

IUPAC3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESNCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-18-9-3-1-2-8(6-9)16-10(17)4-5-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyZQAUTRCYIZQUAE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds5

About 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 43698422) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID43698422
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESNCCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)7-18-9-3-1-2-8(6-9)16-10(17)4-5-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyZQAUTRCYIZQUAE-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 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 43698422) is 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is NCCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is ZQAUTRCYIZQUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)7-18-9-3-1-2-8(6-9)16-10(17)4-5-15/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide 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 3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 43698422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).