5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole

C10H4F9NS — CID 59005758

IUPAC5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole
SMILESCc1cnc(C2=C(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)s1
InChIInChI=1S/C10H4F9NS/c1-3-2-20-6(21-3)4-5(11)8(14,15)10(18,19)9(16,17)7(4,12)13/h2H,1H3
InChIKeyLOJLYLJKVLXHBN-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.69
Rot. Bonds1

About 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole

5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole (PubChem CID 59005758) has the molecular formula C10H4F9NS and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole
PubChem CID59005758
Molecular FormulaC10H4F9NS
Molecular Weight341.20 g/mol
Exact Mass340.99
IUPAC Name5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole
SMILESCc1cnc(C2=C(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)s1
InChIInChI=1S/C10H4F9NS/c1-3-2-20-6(21-3)4-5(11)8(14,15)10(18,19)9(16,17)7(4,12)13/h2H,1H3
InChIKeyLOJLYLJKVLXHBN-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.69
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 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole (CID 59005758) is 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole is Cc1cnc(C2=C(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)s1.
What is the InChIKey of 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole?
The InChIKey is LOJLYLJKVLXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F9NS/c1-3-2-20-6(21-3)4-5(11)8(14,15)10(18,19)9(16,17)7(4,12)13/h2H,1H3.
What are the key properties of 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole?
5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole has a molecular weight of 341.20 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole is sourced from PubChem (CID 59005758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).