2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid

C11H17F3N2O5 — CID 66433143

IUPAC2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H17F3N2O5/c12-11(13,14)7-20-3-1-15-10(19)16-2-4-21-8(6-16)5-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyBXKWELHTWDABKN-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.45
Rot. Bonds6

About 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433143) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433143
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)CCO1
InChIInChI=1S/C11H17F3N2O5/c12-11(13,14)7-20-3-1-15-10(19)16-2-4-21-8(6-16)5-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyBXKWELHTWDABKN-UHFFFAOYSA-N
XLogP0.45
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid (CID 66433143) is 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCOCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is BXKWELHTWDABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c12-11(13,14)7-20-3-1-15-10(19)16-2-4-21-8(6-16)5-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 314.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).