N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide

C12H16F8N2O — CID 2852094

IUPACN-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide
SMILESCC(=O)NC(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F8N2O/c1-7(23)21-9(22-5-3-2-4-6-22)11(17,18)12(19,20)10(15,16)8(13)14/h8-9H,2-6H2,1H3,(H,21,23)
InChIKeyFHLMWTNXCBZALF-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.11
Rot. Bonds6

About N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide

N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide (PubChem CID 2852094) has the molecular formula C12H16F8N2O and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide
PubChem CID2852094
Molecular FormulaC12H16F8N2O
Molecular Weight356.26 g/mol
Exact Mass356.11
IUPAC NameN-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide
SMILESCC(=O)NC(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H16F8N2O/c1-7(23)21-9(22-5-3-2-4-6-22)11(17,18)12(19,20)10(15,16)8(13)14/h8-9H,2-6H2,1H3,(H,21,23)
InChIKeyFHLMWTNXCBZALF-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide (CID 2852094) is N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide is CC(=O)NC(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide?
The InChIKey is FHLMWTNXCBZALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8N2O/c1-7(23)21-9(22-5-3-2-4-6-22)11(17,18)12(19,20)10(15,16)8(13)14/h8-9H,2-6H2,1H3,(H,21,23).
What are the key properties of N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide?
N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide has a molecular weight of 356.26 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5-octafluoro-1-piperidin-1-ylpentyl)acetamide is sourced from PubChem (CID 2852094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).