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

C12H20F3NO2 — CID 64757279

IUPACethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-2-18-11(17)7-8-16-10-6-4-3-5-9(10)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyNTHHKGLDTGYHRB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds5

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

ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate (PubChem CID 64757279) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate
PubChem CID64757279
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nameethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-2-18-11(17)7-8-16-10-6-4-3-5-9(10)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyNTHHKGLDTGYHRB-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate (CID 64757279) is ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate is CCOC(=O)CCNC1CCCCC1C(F)(F)F.
What is the InChIKey of ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate?
The InChIKey is NTHHKGLDTGYHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-18-11(17)7-8-16-10-6-4-3-5-9(10)12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate?
ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate has a molecular weight of 267.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate is sourced from PubChem (CID 64757279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).