1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol

C9H13F2NO2S — CID 103150220

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C9H13F2NO2S/c1-6(13)7-5-15-9(12-7)2-3-14-4-8(10)11/h5-6,8,13H,2-4H2,1H3
InChIKeyYLRJNDHGYYQFAK-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol

1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 103150220) has the molecular formula C9H13F2NO2S and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
PubChem CID103150220
Molecular FormulaC9H13F2NO2S
Molecular Weight237.27 g/mol
Exact Mass237.06
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CCOCC(F)F)n1
InChIInChI=1S/C9H13F2NO2S/c1-6(13)7-5-15-9(12-7)2-3-14-4-8(10)11/h5-6,8,13H,2-4H2,1H3
InChIKeyYLRJNDHGYYQFAK-UHFFFAOYSA-N
XLogP2.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.02
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 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol (CID 103150220) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(CCOCC(F)F)n1.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is YLRJNDHGYYQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2S/c1-6(13)7-5-15-9(12-7)2-3-14-4-8(10)11/h5-6,8,13H,2-4H2,1H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 237.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 103150220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).