2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide

C15H16F15NO3 — CID 87965865

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
SMILESO=C(NCCCCC(CO)CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F15NO3/c16-9(17,8(34)31-4-2-1-3-7(5-32)6-33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7,32-33H,1-6H2,(H,31,34)
InChIKeyOQQAQUCRPSIURA-UHFFFAOYSA-N
MW543.27 g/mol
LogP4.25
Rot. Bonds13

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide (PubChem CID 87965865) has the molecular formula C15H16F15NO3 and a molecular weight of 543.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
PubChem CID87965865
Molecular FormulaC15H16F15NO3
Molecular Weight543.27 g/mol
Exact Mass543.09
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
SMILESO=C(NCCCCC(CO)CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F15NO3/c16-9(17,8(34)31-4-2-1-3-7(5-32)6-33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7,32-33H,1-6H2,(H,31,34)
InChIKeyOQQAQUCRPSIURA-UHFFFAOYSA-N
XLogP4.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.27
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide (CID 87965865) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide is O=C(NCCCCC(CO)CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
The InChIKey is OQQAQUCRPSIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F15NO3/c16-9(17,8(34)31-4-2-1-3-7(5-32)6-33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h7,32-33H,1-6H2,(H,31,34).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide has a molecular weight of 543.27 g/mol, XLogP of 4.25, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide is sourced from PubChem (CID 87965865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).