furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone

C10H4F5NO2S — CID 91926665

IUPACfuran-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccco1)c1scnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F5NO2S/c11-9(12,10(13,14)15)8-7(19-4-16-8)6(17)5-2-1-3-18-5/h1-4H
InChIKeyCABBOWQLOXUDPA-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.62
Rot. Bonds3

About furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone

furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 91926665) has the molecular formula C10H4F5NO2S and a molecular weight of 297.20 g/mol. Its IUPAC name is furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone
PubChem CID91926665
Molecular FormulaC10H4F5NO2S
Molecular Weight297.20 g/mol
Exact Mass296.99
IUPAC Namefuran-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccco1)c1scnc1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F5NO2S/c11-9(12,10(13,14)15)8-7(19-4-16-8)6(17)5-2-1-3-18-5/h1-4H
InChIKeyCABBOWQLOXUDPA-UHFFFAOYSA-N
XLogP3.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(furan-2-yl)methanone
CID 105099265
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
[4-(furan-2-yl)-1,3-thiazol-5-yl]-(5-methylfuran-2-yl)methanone
CID 141118012
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
benzyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 170548737
4,4,5,5,5-pentafluoro-1-(furan-2-yl)-1-hydroxypent-1-en-3-one
CID 74687556
CID 131873391
CID 131873391
ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
CID 11979475
furan-2-yl(phosphanyl)methanone
CID 151549332
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone (CID 91926665) is furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone is O=C(c1ccco1)c1scnc1C(F)(F)C(F)(F)F.
What is the InChIKey of furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is CABBOWQLOXUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5NO2S/c11-9(12,10(13,14)15)8-7(19-4-16-8)6(17)5-2-1-3-18-5/h1-4H.
What are the key properties of furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone?
furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 297.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 91926665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).