methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate

C11H19F3N2O3 — CID 115533922

IUPACmethyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(CCN)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O3/c1-18-10(17)6-8-7-16(4-5-19-8)9(2-3-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyJBEODBDVAJIAFY-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.53
Rot. Bonds5

About methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate

methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate (PubChem CID 115533922) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate
PubChem CID115533922
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Namemethyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(CCN)C(F)(F)F)CCO1
InChIInChI=1S/C11H19F3N2O3/c1-18-10(17)6-8-7-16(4-5-19-8)9(2-3-15)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyJBEODBDVAJIAFY-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate (CID 115533922) is methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(CCN)C(F)(F)F)CCO1.
What is the InChIKey of methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate?
The InChIKey is JBEODBDVAJIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-18-10(17)6-8-7-16(4-5-19-8)9(2-3-15)11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate?
methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate has a molecular weight of 284.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 115533922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).