3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid

C8H12F3NO3 — CID 80997507

IUPAC3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid
SMILESO=C(O)C(CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(7(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyCJUWRVHSNIKVID-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.58
Rot. Bonds3

About 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid

3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid (PubChem CID 80997507) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid
PubChem CID80997507
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid
SMILESO=C(O)C(CN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6(7(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14)
InChIKeyCJUWRVHSNIKVID-UHFFFAOYSA-N
XLogP0.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid (CID 80997507) is 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid is O=C(O)C(CN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid?
The InChIKey is CJUWRVHSNIKVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)6(7(13)14)5-12-1-3-15-4-2-12/h6H,1-5H2,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid?
3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid has a molecular weight of 227.18 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(morpholin-4-ylmethyl)propanoic acid is sourced from PubChem (CID 80997507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).