ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate

C12H20F3NO2 — CID 54892617

IUPACethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-2-18-11(17)10(16-8-12(13,14)15)9-6-4-3-5-7-9/h9-10,16H,2-8H2,1H3
InChIKeyVPEHFWCFIKRJQR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 54892617) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID54892617
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nameethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-2-18-11(17)10(16-8-12(13,14)15)9-6-4-3-5-7-9/h9-10,16H,2-8H2,1H3
InChIKeyVPEHFWCFIKRJQR-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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Related Compounds

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Methyl 2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
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Methyl 2-amino-2-(4,4-difluorocyclohexyl)acetate hydrochloride
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methyl (2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoate hydrochloride
CID 167739069
ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate
CID 135039254
methyl (2S)-2-acetamido-2-cyclohexylacetate
CID 11378885
Methyl 2-acetamido-2-cyclohexylacetate
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ethyl (2R,3R)-3-cyclohexylaziridine-2-carboxylate
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Butyl 2-[(trifluoroacetyl)amino]octanoate
CID 534703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate (CID 54892617) is ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is VPEHFWCFIKRJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-18-11(17)10(16-8-12(13,14)15)9-6-4-3-5-7-9/h9-10,16H,2-8H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate 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 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 54892617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).