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

C10H16F3NO2 — CID 64754637

IUPACmethyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate
SMILESCOC(=O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-14-8-4-2-7(3-5-8)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGJGBKKVGKZVSBY-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

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

methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate (PubChem CID 64754637) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate
PubChem CID64754637
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate
SMILESCOC(=O)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)6-14-8-4-2-7(3-5-8)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGJGBKKVGKZVSBY-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate (CID 64754637) is methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate is COC(=O)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate?
The InChIKey is GJGBKKVGKZVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-9(15)6-14-8-4-2-7(3-5-8)10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate?
methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(trifluoromethyl)cyclohexyl]amino]acetate is sourced from PubChem (CID 64754637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).