5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid

C11H16F3NO3 — CID 60662490

IUPAC5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)8-3-2-6-15(7-8)9(16)4-1-5-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeySOSFHSYTVQGCKY-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds4

About 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid

5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid (PubChem CID 60662490) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
PubChem CID60662490
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)8-3-2-6-15(7-8)9(16)4-1-5-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeySOSFHSYTVQGCKY-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid (CID 60662490) is 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The InChIKey is SOSFHSYTVQGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)8-3-2-6-15(7-8)9(16)4-1-5-10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 60662490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).