[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol

C8H11F2NO2S — CID 103151228

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H11F2NO2S/c9-7(10)5-13-2-1-8-11-3-6(4-12)14-8/h3,7,12H,1-2,4-5H2
InChIKeyPUPKOJLWJSPOHM-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.46
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol

[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol (PubChem CID 103151228) has the molecular formula C8H11F2NO2S and a molecular weight of 223.24 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol
PubChem CID103151228
Molecular FormulaC8H11F2NO2S
Molecular Weight223.24 g/mol
Exact Mass223.05
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(CCOCC(F)F)s1
InChIInChI=1S/C8H11F2NO2S/c9-7(10)5-13-2-1-8-11-3-6(4-12)14-8/h3,7,12H,1-2,4-5H2
InChIKeyPUPKOJLWJSPOHM-UHFFFAOYSA-N
XLogP1.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol (CID 103151228) is [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol is OCc1cnc(CCOCC(F)F)s1.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is PUPKOJLWJSPOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2S/c9-7(10)5-13-2-1-8-11-3-6(4-12)14-8/h3,7,12H,1-2,4-5H2.
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol?
[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 223.24 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 103151228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).