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

C9H12F3NO5 — CID 66433223

IUPAC2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)5-18-8(16)13-1-2-17-6(4-13)3-7(14)15/h6H,1-5H2,(H,14,15)
InChIKeyJEEKZNQDHPZOLA-UHFFFAOYSA-N
MW271.19 g/mol
LogP0.86
Rot. Bonds3

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

2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid (PubChem CID 66433223) has the molecular formula C9H12F3NO5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid
PubChem CID66433223
Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)5-18-8(16)13-1-2-17-6(4-13)3-7(14)15/h6H,1-5H2,(H,14,15)
InChIKeyJEEKZNQDHPZOLA-UHFFFAOYSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid (CID 66433223) is 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)OCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid?
The InChIKey is JEEKZNQDHPZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO5/c10-9(11,12)5-18-8(16)13-1-2-17-6(4-13)3-7(14)15/h6H,1-5H2,(H,14,15).
What are the key properties of 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid?
2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid has a molecular weight of 271.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethoxycarbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).