4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

C8H10F3NOS — CID 106784199

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(13)2-3-6-4-12-7(14-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyFKYLQMRCENQKIJ-UHFFFAOYSA-N
MW225.23 g/mol
LogP2.48
Rot. Bonds3

About 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (PubChem CID 106784199) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
PubChem CID106784199
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(13)2-3-6-4-12-7(14-6)8(9,10)11/h4-5,13H,2-3H2,1H3
InChIKeyFKYLQMRCENQKIJ-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (CID 106784199) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is CC(O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The InChIKey is FKYLQMRCENQKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(13)2-3-6-4-12-7(14-6)8(9,10)11/h4-5,13H,2-3H2,1H3.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol has a molecular weight of 225.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is sourced from PubChem (CID 106784199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).