3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid

C11H16F3NO3 — CID 62216109

IUPAC3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-9(16)15-5-3-8(4-6-15)1-2-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyQOTWVPFTEYGIST-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds4

About 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid

3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid (PubChem CID 62216109) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid
PubChem CID62216109
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-9(16)15-5-3-8(4-6-15)1-2-10(17)18/h8H,1-7H2,(H,17,18)
InChIKeyQOTWVPFTEYGIST-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 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid (CID 62216109) is 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid?
The InChIKey is QOTWVPFTEYGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-9(16)15-5-3-8(4-6-15)1-2-10(17)18/h8H,1-7H2,(H,17,18).
What are the key properties of 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid?
3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic 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 3-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).