4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid

C11H18F3NO3 — CID 63980492

IUPAC4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid
SMILESCOCC1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c1-18-7-8-2-4-15(5-3-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQZASJOGHHQEKJA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.75
Rot. Bonds5

About 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid

4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 63980492) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid
PubChem CID63980492
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid
SMILESCOCC1CCN(C(CC(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO3/c1-18-7-8-2-4-15(5-3-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQZASJOGHHQEKJA-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid (CID 63980492) is 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid is COCC1CCN(C(CC(=O)O)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is QZASJOGHHQEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-18-7-8-2-4-15(5-3-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid?
4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 63980492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).