3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

C10H16F3NO3 — CID 63067080

IUPAC3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCCC1COCCN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-7-6-17-4-3-14(7)8(5-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJMGYDYCHOJRGDB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds4

About 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid

3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (PubChem CID 63067080) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
PubChem CID63067080
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
SMILESCCC1COCCN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-7-6-17-4-3-14(7)8(5-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyJMGYDYCHOJRGDB-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid (CID 63067080) is 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is CCC1COCCN1C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
The InChIKey is JMGYDYCHOJRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-7-6-17-4-3-14(7)8(5-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid?
3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63067080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).