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

C8H10F3NO4 — CID 66433403

IUPAC2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)12-1-2-16-5(4-12)3-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyUDRCTRKQNAXUGT-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.25
Rot. Bonds2

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

2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid (PubChem CID 66433403) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid
PubChem CID66433403
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)12-1-2-16-5(4-12)3-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyUDRCTRKQNAXUGT-UHFFFAOYSA-N
XLogP0.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid (CID 66433403) is 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid?
The InChIKey is UDRCTRKQNAXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(15)12-1-2-16-5(4-12)3-6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid?
2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid has a molecular weight of 241.16 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).