3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid

C14H16F3NO3 — CID 117243283

IUPAC3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(CN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(13(19)20)9-18-4-6-21-7-5-18/h1-3,8,12H,4-7,9H2,(H,19,20)
InChIKeyXJHGXOFJDAXALX-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.21
Rot. Bonds4

About 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid

3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 117243283) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID117243283
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(CN1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(13(19)20)9-18-4-6-21-7-5-18/h1-3,8,12H,4-7,9H2,(H,19,20)
InChIKeyXJHGXOFJDAXALX-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid (CID 117243283) is 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)C(CN1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is XJHGXOFJDAXALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)11-3-1-2-10(8-11)12(13(19)20)9-18-4-6-21-7-5-18/h1-3,8,12H,4-7,9H2,(H,19,20).
What are the key properties of 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid?
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 117243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).