4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid

C9H12F3NO5 — CID 113263265

IUPAC4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)5-18-4-7(14)13-1-2-17-3-6(13)8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyMWNTYKLVBSBGPE-UHFFFAOYSA-N
MW271.19 g/mol
LogP-0.12
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid

4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid (PubChem CID 113263265) has the molecular formula C9H12F3NO5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid
PubChem CID113263265
Molecular FormulaC9H12F3NO5
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO5/c10-9(11,12)5-18-4-7(14)13-1-2-17-3-6(13)8(15)16/h6H,1-5H2,(H,15,16)
InChIKeyMWNTYKLVBSBGPE-UHFFFAOYSA-N
XLogP-0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 65230625
CID 65230625
CID 79468110
CID 79468110
CID 83636543
CID 83636543
CID 89694652
CID 89694652
CID 65546151
CID 65546151
CID 65546576
CID 65546576
CID 65546666
CID 65546666
CID 65547157
CID 65547157
CID 65547464
CID 65547464
CID 65548021
CID 65548021
CID 65548267
CID 65548267
CID 65548759
CID 65548759

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid (CID 113263265) is 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)COCC(F)(F)F.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid?
The InChIKey is MWNTYKLVBSBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO5/c10-9(11,12)5-18-4-7(14)13-1-2-17-3-6(13)8(15)16/h6H,1-5H2,(H,15,16).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 113263265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).