ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate

C15H26F3NO2 — CID 64760068

IUPACethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO2/c1-4-19(5-2)14(11-13(20)21-6-3)9-7-8-12(10-14)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyXOGOBFLRESZLKS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.77
Rot. Bonds6

About ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate

ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate (PubChem CID 64760068) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate
PubChem CID64760068
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Nameethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(N(CC)CC)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO2/c1-4-19(5-2)14(11-13(20)21-6-3)9-7-8-12(10-14)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyXOGOBFLRESZLKS-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)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-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate (CID 64760068) is ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate is CCOC(=O)CC1(N(CC)CC)CCCC(C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate?
The InChIKey is XOGOBFLRESZLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-4-19(5-2)14(11-13(20)21-6-3)9-7-8-12(10-14)15(16,17)18/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate?
ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate has a molecular weight of 309.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(diethylamino)-3-(trifluoromethyl)cyclohexyl]acetate is sourced from PubChem (CID 64760068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).