5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid

C11H18F3NO3 — CID 82534415

IUPAC5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-9(7-10(16)17)1-2-15-3-5-18-6-4-15/h9H,1-8H2,(H,16,17)
InChIKeyGVVLCTGHSWAKJT-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.75
Rot. Bonds6

About 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid

5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid (PubChem CID 82534415) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid
PubChem CID82534415
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-9(7-10(16)17)1-2-15-3-5-18-6-4-15/h9H,1-8H2,(H,16,17)
InChIKeyGVVLCTGHSWAKJT-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid?
The IUPAC name of 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid (CID 82534415) is 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid is O=C(O)CC(CCN1CCOCC1)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid?
The InChIKey is GVVLCTGHSWAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)8-9(7-10(16)17)1-2-15-3-5-18-6-4-15/h9H,1-8H2,(H,16,17).
What are the key properties of 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid?
5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid is sourced from PubChem (CID 82534415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).