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

C9H12F3NOS — CID 106784209

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
SMILESCC(O)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-5(3-6(2)14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyRLVPQQIXRGDYRD-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.04
Rot. Bonds3

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

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol (PubChem CID 106784209) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
PubChem CID106784209
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
SMILESCC(O)CC(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-5(3-6(2)14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3
InChIKeyRLVPQQIXRGDYRD-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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]pentan-2-ol?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol (CID 106784209) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol is CC(O)CC(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
The InChIKey is RLVPQQIXRGDYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-5(3-6(2)14)7-4-13-8(15-7)9(10,11)12/h4-6,14H,3H2,1-2H3.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol has a molecular weight of 239.26 g/mol, XLogP of 3.04, 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]pentan-2-ol is sourced from PubChem (CID 106784209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).