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

C9H12F3NOS — CID 106782102

IUPAC3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCC(C)CC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-5(2)3-6(14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyLJPNWHSCSFRXOM-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.24
Rot. Bonds3

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

3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 106782102) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID106782102
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCC(C)CC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-5(2)3-6(14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyLJPNWHSCSFRXOM-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 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (CID 106782102) is 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is CC(C)CC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is LJPNWHSCSFRXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-5(2)3-6(14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
3-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 3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 106782102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).