4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol

C9H13F2NO2S — CID 103147692

IUPAC4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C9H13F2NO2S/c10-8(11)6-14-3-1-7(13)5-9-12-2-4-15-9/h2,4,7-8,13H,1,3,5-6H2
InChIKeyIQNSALNDTMTUIJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.72
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol

4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 103147692) has the molecular formula C9H13F2NO2S and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID103147692
Molecular FormulaC9H13F2NO2S
Molecular Weight237.27 g/mol
Exact Mass237.06
IUPAC Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C9H13F2NO2S/c10-8(11)6-14-3-1-7(13)5-9-12-2-4-15-9/h2,4,7-8,13H,1,3,5-6H2
InChIKeyIQNSALNDTMTUIJ-UHFFFAOYSA-N
XLogP1.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol (CID 103147692) is 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol is OC(CCOCC(F)F)Cc1nccs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is IQNSALNDTMTUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2S/c10-8(11)6-14-3-1-7(13)5-9-12-2-4-15-9/h2,4,7-8,13H,1,3,5-6H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 237.27 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 103147692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).