1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol

C9H11F4NO2S — CID 103473926

IUPAC1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C9H11F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,6,8,15H,3-5H2
InChIKeyZKWSVUAWRTUEML-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.96
Rot. Bonds7

About 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol

1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 103473926) has the molecular formula C9H11F4NO2S and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID103473926
Molecular FormulaC9H11F4NO2S
Molecular Weight273.25 g/mol
Exact Mass273.04
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C9H11F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,6,8,15H,3-5H2
InChIKeyZKWSVUAWRTUEML-UHFFFAOYSA-N
XLogP1.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol (CID 103473926) is 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol is OC(COCC(F)(F)C(F)F)Cc1nccs1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is ZKWSVUAWRTUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,6,8,15H,3-5H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 273.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 103473926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).