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

C12H18F3NO3 — CID 113225930

IUPACethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3/c1-2-19-10(17)7-16-11(18)8-4-3-5-9(6-8)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeySFIKMGVZMRVOJC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.03
Rot. Bonds4

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

ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate (PubChem CID 113225930) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
PubChem CID113225930
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3NO3/c1-2-19-10(17)7-16-11(18)8-4-3-5-9(6-8)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,18)
InChIKeySFIKMGVZMRVOJC-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]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)cyclohexanecarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate (CID 113225930) is ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate is CCOC(=O)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate?
The InChIKey is SFIKMGVZMRVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-2-19-10(17)7-16-11(18)8-4-3-5-9(6-8)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate?
ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate has a molecular weight of 281.27 g/mol, XLogP of 2.03, 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)cyclohexanecarbonyl]amino]acetate is sourced from PubChem (CID 113225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).