ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate

C11H18F3NO2 — CID 64757390

IUPACethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyQIFREDANFIRWRX-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate

ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate (PubChem CID 64757390) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate
PubChem CID64757390
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyQIFREDANFIRWRX-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate (CID 64757390) is ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate is CCOC(=O)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate?
The InChIKey is QIFREDANFIRWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-17-10(16)7-15-9-5-3-4-8(6-9)11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate?
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate has a molecular weight of 253.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]acetate is sourced from PubChem (CID 64757390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).