4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol

C9H13F2NO2S — CID 103147645

IUPAC4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H13F2NO2S/c10-9(11)5-14-2-1-7(13)3-8-4-12-6-15-8/h4,6-7,9,13H,1-3,5H2
InChIKeyHHZCZZHYWXJRAM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.72
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol

4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 103147645) 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-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID103147645
Molecular FormulaC9H13F2NO2S
Molecular Weight237.27 g/mol
Exact Mass237.06
IUPAC Name4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H13F2NO2S/c10-9(11)5-14-2-1-7(13)3-8-4-12-6-15-8/h4,6-7,9,13H,1-3,5H2
InChIKeyHHZCZZHYWXJRAM-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol (CID 103147645) is 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol is OC(CCOCC(F)F)Cc1cncs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is HHZCZZHYWXJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2S/c10-9(11)5-14-2-1-7(13)3-8-4-12-6-15-8/h4,6-7,9,13H,1-3,5H2.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-ol?
4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-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-5-yl)butan-2-ol is sourced from PubChem (CID 103147645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).