2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C8H5F7N2OS — CID 5147697

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H5F7N2OS/c1-3-2-16-5(19-3)17-4(18)6(9,10)7(11,12)8(13,14)15/h2H,1H3,(H,16,17,18)
InChIKeyOOHAWWUPDKTXDV-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.22
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 5147697) has the molecular formula C8H5F7N2OS and a molecular weight of 310.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID5147697
Molecular FormulaC8H5F7N2OS
Molecular Weight310.19 g/mol
Exact Mass310.00
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1
InChIInChI=1S/C8H5F7N2OS/c1-3-2-16-5(19-3)17-4(18)6(9,10)7(11,12)8(13,14)15/h2H,1H3,(H,16,17,18)
InChIKeyOOHAWWUPDKTXDV-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 5147697) is 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is OOHAWWUPDKTXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7N2OS/c1-3-2-16-5(19-3)17-4(18)6(9,10)7(11,12)8(13,14)15/h2H,1H3,(H,16,17,18).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 310.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 5147697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).