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

C14H16F3NO4 — CID 54047873

IUPAC2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)9-22-12-8-11(18-3-5-21-6-4-18)2-1-10(12)7-13(19)20/h1-2,8H,3-7,9H2,(H,19,20)
InChIKeyLQUWVLBNJBRFQX-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.09
Rot. Bonds5

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

2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid (PubChem CID 54047873) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid
PubChem CID54047873
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Name2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)9-22-12-8-11(18-3-5-21-6-4-18)2-1-10(12)7-13(19)20/h1-2,8H,3-7,9H2,(H,19,20)
InChIKeyLQUWVLBNJBRFQX-UHFFFAOYSA-N
XLogP2.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid (CID 54047873) is 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F.
What is the InChIKey of 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid?
The InChIKey is LQUWVLBNJBRFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4/c15-14(16,17)9-22-12-8-11(18-3-5-21-6-4-18)2-1-10(12)7-13(19)20/h1-2,8H,3-7,9H2,(H,19,20).
What are the key properties of 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid?
2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid has a molecular weight of 319.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)phenyl]acetic acid is sourced from PubChem (CID 54047873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).