2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide

C11H4F15N3O2 — CID 101439413

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)no1
InChIInChI=1S/C11H4F15N3O2/c1-2-27-4(29-31-2)28-3(30)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1H3,(H,28,29,30)
InChIKeyHETLGEHETYDWJG-UHFFFAOYSA-N
MW495.14 g/mol
LogP4.69
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide (PubChem CID 101439413) has the molecular formula C11H4F15N3O2 and a molecular weight of 495.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide
PubChem CID101439413
Molecular FormulaC11H4F15N3O2
Molecular Weight495.14 g/mol
Exact Mass495.01
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide
SMILESCc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)no1
InChIInChI=1S/C11H4F15N3O2/c1-2-27-4(29-31-2)28-3(30)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1H3,(H,28,29,30)
InChIKeyHETLGEHETYDWJG-UHFFFAOYSA-N
XLogP4.69
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(5-methyl-1,2,4-oxadiazol-3-yl)propanamide
CID 101166743
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
CID 15164340
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4207224
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005

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-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide (CID 101439413) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide is Cc1nc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)no1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide?
The InChIKey is HETLGEHETYDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F15N3O2/c1-2-27-4(29-31-2)28-3(30)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1H3,(H,28,29,30).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide has a molecular weight of 495.14 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(5-methyl-1,2,4-oxadiazol-3-yl)octanamide is sourced from PubChem (CID 101439413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).