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

C10H14F3NOS — CID 106784202

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol
SMILESCCCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-2-3-7(15)4-5-8-6-14-9(16-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyIEDLUIJQRASCIY-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.26
Rot. Bonds5

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol (PubChem CID 106784202) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol
PubChem CID106784202
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol
SMILESCCCC(O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-2-3-7(15)4-5-8-6-14-9(16-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyIEDLUIJQRASCIY-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol (CID 106784202) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol is CCCC(O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol?
The InChIKey is IEDLUIJQRASCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-2-3-7(15)4-5-8-6-14-9(16-8)10(11,12)13/h6-7,15H,2-5H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol has a molecular weight of 253.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexan-3-ol is sourced from PubChem (CID 106784202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).