ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate

C14H22F3NO3 — CID 121438820

IUPACethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(CC(F)(F)F)C(C)=O)CC1
InChIInChI=1S/C14H22F3NO3/c1-3-21-13(20)8-11-4-6-12(7-5-11)18(10(2)19)9-14(15,16)17/h11-12H,3-9H2,1-2H3
InChIKeyYWOZOPQIAWBWJZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds5

About ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate

ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate (PubChem CID 121438820) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate
PubChem CID121438820
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Nameethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(CC(F)(F)F)C(C)=O)CC1
InChIInChI=1S/C14H22F3NO3/c1-3-21-13(20)8-11-4-6-12(7-5-11)18(10(2)19)9-14(15,16)17/h11-12H,3-9H2,1-2H3
InChIKeyYWOZOPQIAWBWJZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]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-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate (CID 121438820) is ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate is CCOC(=O)CC1CCC(N(CC(F)(F)F)C(C)=O)CC1.
What is the InChIKey of ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate?
The InChIKey is YWOZOPQIAWBWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-3-21-13(20)8-11-4-6-12(7-5-11)18(10(2)19)9-14(15,16)17/h11-12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate?
ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate has a molecular weight of 309.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetate is sourced from PubChem (CID 121438820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).