3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol

C9H12F3NO2S — CID 106782877

IUPAC3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCOC(C)CC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO2S/c1-5(15-2)3-6(14)7-4-13-8(16-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyGKUOQLGBORVTGU-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.62
Rot. Bonds4

About 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol

3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 106782877) has the molecular formula C9H12F3NO2S and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID106782877
Molecular FormulaC9H12F3NO2S
Molecular Weight255.26 g/mol
Exact Mass255.05
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCOC(C)CC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO2S/c1-5(15-2)3-6(14)7-4-13-8(16-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyGKUOQLGBORVTGU-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (CID 106782877) is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is COC(C)CC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is GKUOQLGBORVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-5(15-2)3-6(14)7-4-13-8(16-7)9(10,11)12/h4-6,14H,3H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 106782877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).