2-fluoro-2-piperidin-4-ylideneacetic acid

C7H10FNO2 — CID 130778205

IUPAC2-fluoro-2-piperidin-4-ylideneacetic acid
SMILESO=C(O)C(F)=C1CCNCC1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h9H,1-4H2,(H,10,11)
InChIKeyLVSVXPWIMHCYQQ-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.68
Rot. Bonds1

About 2-fluoro-2-piperidin-4-ylideneacetic acid

2-fluoro-2-piperidin-4-ylideneacetic acid (PubChem CID 130778205) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is 2-fluoro-2-piperidin-4-ylideneacetic acid.

Molecular Properties

Compound Name2-fluoro-2-piperidin-4-ylideneacetic acid
PubChem CID130778205
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name2-fluoro-2-piperidin-4-ylideneacetic acid
SMILESO=C(O)C(F)=C1CCNCC1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h9H,1-4H2,(H,10,11)
InChIKeyLVSVXPWIMHCYQQ-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperidin-4-ylideneacetic acid?
The IUPAC name of 2-fluoro-2-piperidin-4-ylideneacetic acid (CID 130778205) is 2-fluoro-2-piperidin-4-ylideneacetic acid.
What is the SMILES notation for 2-fluoro-2-piperidin-4-ylideneacetic acid?
The canonical SMILES for 2-fluoro-2-piperidin-4-ylideneacetic acid is O=C(O)C(F)=C1CCNCC1.
What is the InChIKey of 2-fluoro-2-piperidin-4-ylideneacetic acid?
The InChIKey is LVSVXPWIMHCYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6(7(10)11)5-1-3-9-4-2-5/h9H,1-4H2,(H,10,11).
What are the key properties of 2-fluoro-2-piperidin-4-ylideneacetic acid?
2-fluoro-2-piperidin-4-ylideneacetic acid has a molecular weight of 159.16 g/mol, XLogP of 0.68, 1 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-ylideneacetic acid is sourced from PubChem (CID 130778205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).