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

C9H12F3NOS — CID 106782082

IUPAC2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(C)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-3-5(2)7(14)6-4-13-8(15-6)9(10,11)12/h4-5,7,14H,3H2,1-2H3
InChIKeySYCDNJLPYGDKCO-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.24
Rot. Bonds3

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

2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 106782082) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID106782082
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(C)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-3-5(2)7(14)6-4-13-8(15-6)9(10,11)12/h4-5,7,14H,3H2,1-2H3
InChIKeySYCDNJLPYGDKCO-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (CID 106782082) is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is CCC(C)C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is SYCDNJLPYGDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-3-5(2)7(14)6-4-13-8(15-6)9(10,11)12/h4-5,7,14H,3H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 239.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 106782082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).