[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol

C6H4F5NOS — CID 54209966

IUPAC[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H4F5NOS/c7-5(8,6(9,10)11)4-12-3(1-13)2-14-4/h2,13H,1H2
InChIKeyPVGNLHPSXAODSN-UHFFFAOYSA-N
MW233.16 g/mol
LogP2.29
Rot. Bonds2

About [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol

[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 54209966) has the molecular formula C6H4F5NOS and a molecular weight of 233.16 g/mol. Its IUPAC name is [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol
PubChem CID54209966
Molecular FormulaC6H4F5NOS
Molecular Weight233.16 g/mol
Exact Mass232.99
IUPAC Name[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H4F5NOS/c7-5(8,6(9,10)11)4-12-3(1-13)2-14-4/h2,13H,1H2
InChIKeyPVGNLHPSXAODSN-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.16
LogP ≤ 52.29
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-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol (CID 54209966) is [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol is OCc1csc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is PVGNLHPSXAODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5NOS/c7-5(8,6(9,10)11)4-12-3(1-13)2-14-4/h2,13H,1H2.
What are the key properties of [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol?
[2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 233.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 54209966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).