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

C9H5F6NS — CID 59005728

IUPAC2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2=CC(F)(F)C(F)(F)C2(F)F)s1
InChIInChI=1S/C9H5F6NS/c1-4-3-16-6(17-4)5-2-7(10,11)9(14,15)8(5,12)13/h2-3H,1H3
InChIKeyDYQBMLANBKRSIP-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.75
Rot. Bonds1

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

2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole (PubChem CID 59005728) has the molecular formula C9H5F6NS and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole
PubChem CID59005728
Molecular FormulaC9H5F6NS
Molecular Weight273.20 g/mol
Exact Mass273.00
IUPAC Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2=CC(F)(F)C(F)(F)C2(F)F)s1
InChIInChI=1S/C9H5F6NS/c1-4-3-16-6(17-4)5-2-7(10,11)9(14,15)8(5,12)13/h2-3H,1H3
InChIKeyDYQBMLANBKRSIP-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005651
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole;iridium
CID 59005727
Iridium;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005737
5-Methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005758
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
Ethane;5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142277216
5-Methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 157936356
2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole
CID 158162032
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-1,3-thiazole
CID 59005853
2-(6,6-Difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole
CID 59005883
5-Methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142277217

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole (CID 59005728) is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole is Cc1cnc(C2=CC(F)(F)C(F)(F)C2(F)F)s1.
What is the InChIKey of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is DYQBMLANBKRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NS/c1-4-3-16-6(17-4)5-2-7(10,11)9(14,15)8(5,12)13/h2-3H,1H3.
What are the key properties of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole?
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 273.20 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 59005728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).