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

C10H14F3NO2S — CID 106786616

IUPAC3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCCCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NO2S/c1-2-4-16-5-3-7(15)8-6-14-9(17-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyYKZUZROEVJBRGW-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.01
Rot. Bonds6

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

3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106786616) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106786616
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCCCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NO2S/c1-2-4-16-5-3-7(15)8-6-14-9(17-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyYKZUZROEVJBRGW-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106786616) is 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is CCCOCCC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is YKZUZROEVJBRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c1-2-4-16-5-3-7(15)8-6-14-9(17-8)10(11,12)13/h6-7,15H,2-5H2,1H3.
What are the key properties of 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 269.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106786616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).