2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid

C11H16F3NO3 — CID 83198108

IUPAC2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-10(2,9(17)18)7-4-3-5-15(6-7)8(16)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyUKHLGDFAOKHFFC-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.90
Rot. Bonds2

About 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid (PubChem CID 83198108) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid
PubChem CID83198108
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-10(2,9(17)18)7-4-3-5-15(6-7)8(16)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18)
InChIKeyUKHLGDFAOKHFFC-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid (CID 83198108) is 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid?
The InChIKey is UKHLGDFAOKHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-10(2,9(17)18)7-4-3-5-15(6-7)8(16)11(12,13)14/h7H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid has a molecular weight of 267.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).