methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate

C11H19F3N2O3 — CID 103366426

IUPACmethyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(CN)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O3/c1-18-10(17)4-9-7-16(2-3-19-9)6-8(5-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyAGNQHLPLEOOCNW-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.39
Rot. Bonds5

About methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate (PubChem CID 103366426) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate
PubChem CID103366426
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Namemethyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CC(CN)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O3/c1-18-10(17)4-9-7-16(2-3-19-9)6-8(5-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyAGNQHLPLEOOCNW-UHFFFAOYSA-N
XLogP0.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate (CID 103366426) is methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate is COC(=O)CC1CN(CC(CN)C(F)(F)F)CCO1.
What is the InChIKey of methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate?
The InChIKey is AGNQHLPLEOOCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-18-10(17)4-9-7-16(2-3-19-9)6-8(5-15)11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate has a molecular weight of 284.28 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(aminomethyl)-3,3,3-trifluoropropyl]morpholin-2-yl]acetate is sourced from PubChem (CID 103366426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).