methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate

C12H20F3NO2 — CID 64754865

IUPACmethyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,10(17)18-3)16-9-6-4-8(5-7-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyIUJJXADEEBYRQK-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds3

About methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate

methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate (PubChem CID 64754865) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate
PubChem CID64754865
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Namemethyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,10(17)18-3)16-9-6-4-8(5-7-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3
InChIKeyIUJJXADEEBYRQK-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate (CID 64754865) is methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate is COC(=O)C(C)(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate?
The InChIKey is IUJJXADEEBYRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,10(17)18-3)16-9-6-4-8(5-7-9)12(13,14)15/h8-9,16H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate?
methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate has a molecular weight of 267.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate is sourced from PubChem (CID 64754865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).