2-(2-fluoropiperidin-1-yl)acetic acid

C7H12FNO2 — CID 175181315

IUPAC2-(2-fluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCCC1F
InChIInChI=1S/C7H12FNO2/c8-6-3-1-2-4-9(6)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyMFINCHURYJEVQA-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.85
Rot. Bonds2

About 2-(2-fluoropiperidin-1-yl)acetic acid

2-(2-fluoropiperidin-1-yl)acetic acid (PubChem CID 175181315) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(2-fluoropiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoropiperidin-1-yl)acetic acid
PubChem CID175181315
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(2-fluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCCC1F
InChIInChI=1S/C7H12FNO2/c8-6-3-1-2-4-9(6)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyMFINCHURYJEVQA-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropiperidin-1-yl)acetic acid?
The IUPAC name of 2-(2-fluoropiperidin-1-yl)acetic acid (CID 175181315) is 2-(2-fluoropiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-fluoropiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-fluoropiperidin-1-yl)acetic acid is O=C(O)CN1CCCCC1F.
What is the InChIKey of 2-(2-fluoropiperidin-1-yl)acetic acid?
The InChIKey is MFINCHURYJEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6-3-1-2-4-9(6)5-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 2-(2-fluoropiperidin-1-yl)acetic acid?
2-(2-fluoropiperidin-1-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropiperidin-1-yl)acetic acid is sourced from PubChem (CID 175181315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).