2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide

C8H4F9N3OS — CID 4207224

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H4F9N3OS/c1-2-19-20-4(22-2)18-3(21)5(9,10)6(11,12)7(13,14)8(15,16)17/h1H3,(H,18,20,21)
InChIKeyJLJLAYBSMBACNH-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.25
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 4207224) has the molecular formula C8H4F9N3OS and a molecular weight of 361.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID4207224
Molecular FormulaC8H4F9N3OS
Molecular Weight361.19 g/mol
Exact Mass360.99
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H4F9N3OS/c1-2-19-20-4(22-2)18-3(21)5(9,10)6(11,12)7(13,14)8(15,16)17/h1H3,(H,18,20,21)
InChIKeyJLJLAYBSMBACNH-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 4207224) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide is Cc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is JLJLAYBSMBACNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9N3OS/c1-2-19-20-4(22-2)18-3(21)5(9,10)6(11,12)7(13,14)8(15,16)17/h1H3,(H,18,20,21).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 361.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 4207224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).