1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol

C8H9ClF3NOS — CID 107124869

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C8H9ClF3NOS/c9-6-4-13-7(15-6)5(14)2-1-3-8(10,11)12/h4-5,14H,1-3H2
InChIKeyFETALXBRUKEATN-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol

1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol (PubChem CID 107124869) has the molecular formula C8H9ClF3NOS and a molecular weight of 259.68 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol
PubChem CID107124869
Molecular FormulaC8H9ClF3NOS
Molecular Weight259.68 g/mol
Exact Mass259.00
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C8H9ClF3NOS/c9-6-4-13-7(15-6)5(14)2-1-3-8(10,11)12/h4-5,14H,1-3H2
InChIKeyFETALXBRUKEATN-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol (CID 107124869) is 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol is OC(CCCC(F)(F)F)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is FETALXBRUKEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NOS/c9-6-4-13-7(15-6)5(14)2-1-3-8(10,11)12/h4-5,14H,1-3H2.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol?
1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 259.68 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 107124869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).