4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole

C15H8F7NS — CID 10872271

IUPAC4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2)nc1C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NS/c1-7-10(23-12(24-7)8-5-3-2-4-6-8)9-11(16)14(19,20)15(21,22)13(9,17)18/h2-6H,1H3
InChIKeyWEFDVHFSRUYBIC-UHFFFAOYSA-N
MW367.29 g/mol
LogP5.72
Rot. Bonds2

About 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole

4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole (PubChem CID 10872271) has the molecular formula C15H8F7NS and a molecular weight of 367.29 g/mol. Its IUPAC name is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole
PubChem CID10872271
Molecular FormulaC15H8F7NS
Molecular Weight367.29 g/mol
Exact Mass367.03
IUPAC Name4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole
SMILESCc1sc(-c2ccccc2)nc1C1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NS/c1-7-10(23-12(24-7)8-5-3-2-4-6-8)9-11(16)14(19,20)15(21,22)13(9,17)18/h2-6H,1H3
InChIKeyWEFDVHFSRUYBIC-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.29
LogP ≤ 55.72
H-Bond Donors ≤ 50
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 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole (CID 10872271) is 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole is Cc1sc(-c2ccccc2)nc1C1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole?
The InChIKey is WEFDVHFSRUYBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F7NS/c1-7-10(23-12(24-7)8-5-3-2-4-6-8)9-11(16)14(19,20)15(21,22)13(9,17)18/h2-6H,1H3.
What are the key properties of 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole?
4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole has a molecular weight of 367.29 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-5-methyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 10872271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).