fluoro 2,2-difluoro-2-piperidin-1-ylacetate

C7H10F3NO2 — CID 118679476

IUPACfluoro 2,2-difluoro-2-piperidin-1-ylacetate
SMILESO=C(OF)C(F)(F)N1CCCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,6(12)13-10)11-4-2-1-3-5-11/h1-5H2
InChIKeyMDYZTBQBRPUQQS-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.49
Rot. Bonds2

About fluoro 2,2-difluoro-2-piperidin-1-ylacetate

fluoro 2,2-difluoro-2-piperidin-1-ylacetate (PubChem CID 118679476) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is fluoro 2,2-difluoro-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namefluoro 2,2-difluoro-2-piperidin-1-ylacetate
PubChem CID118679476
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namefluoro 2,2-difluoro-2-piperidin-1-ylacetate
SMILESO=C(OF)C(F)(F)N1CCCCC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,6(12)13-10)11-4-2-1-3-5-11/h1-5H2
InChIKeyMDYZTBQBRPUQQS-UHFFFAOYSA-N
XLogP1.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 fluoro 2,2-difluoro-2-piperidin-1-ylacetate?
The IUPAC name of fluoro 2,2-difluoro-2-piperidin-1-ylacetate (CID 118679476) is fluoro 2,2-difluoro-2-piperidin-1-ylacetate.
What is the SMILES notation for fluoro 2,2-difluoro-2-piperidin-1-ylacetate?
The canonical SMILES for fluoro 2,2-difluoro-2-piperidin-1-ylacetate is O=C(OF)C(F)(F)N1CCCCC1.
What is the InChIKey of fluoro 2,2-difluoro-2-piperidin-1-ylacetate?
The InChIKey is MDYZTBQBRPUQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,6(12)13-10)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of fluoro 2,2-difluoro-2-piperidin-1-ylacetate?
fluoro 2,2-difluoro-2-piperidin-1-ylacetate has a molecular weight of 197.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,2-difluoro-2-piperidin-1-ylacetate is sourced from PubChem (CID 118679476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).