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

C12H20F3NO2 — CID 64760017

IUPACethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-18-11(17)8(2)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyZDYXAFXKHOCDGE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds4

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

ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate (PubChem CID 64760017) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
PubChem CID64760017
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nameethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCCOC(=O)C(C)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-3-18-11(17)8(2)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeyZDYXAFXKHOCDGE-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
methyl (2R,3R)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834927
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 106023449

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate?
The IUPAC name of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate (CID 64760017) is ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate is CCOC(=O)C(C)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate?
The InChIKey is ZDYXAFXKHOCDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-3-18-11(17)8(2)16-10-6-4-5-9(7-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate?
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate has a molecular weight of 267.29 g/mol, XLogP of 2.65, 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)cyclohexyl]amino]propanoate is sourced from PubChem (CID 64760017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).