2-fluoro-2-piperidin-4-ylpropanoic acid

C8H14FNO2 — CID 105436077

IUPAC2-fluoro-2-piperidin-4-ylpropanoic acid
SMILESCC(F)(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H14FNO2/c1-8(9,7(11)12)6-2-4-10-5-3-6/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyZQRDDDSDEICLAH-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.80
Rot. Bonds2

About 2-fluoro-2-piperidin-4-ylpropanoic acid

2-fluoro-2-piperidin-4-ylpropanoic acid (PubChem CID 105436077) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-fluoro-2-piperidin-4-ylpropanoic acid
PubChem CID105436077
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-fluoro-2-piperidin-4-ylpropanoic acid
SMILESCC(F)(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H14FNO2/c1-8(9,7(11)12)6-2-4-10-5-3-6/h6,10H,2-5H2,1H3,(H,11,12)
InChIKeyZQRDDDSDEICLAH-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 2-fluoro-2-piperidin-4-ylpropanoic acid (CID 105436077) is 2-fluoro-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 2-fluoro-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 2-fluoro-2-piperidin-4-ylpropanoic acid is CC(F)(C(=O)O)C1CCNCC1.
What is the InChIKey of 2-fluoro-2-piperidin-4-ylpropanoic acid?
The InChIKey is ZQRDDDSDEICLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(9,7(11)12)6-2-4-10-5-3-6/h6,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-piperidin-4-ylpropanoic acid?
2-fluoro-2-piperidin-4-ylpropanoic acid has a molecular weight of 175.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 105436077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).