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

C10H14F3NO3S — CID 106782913

IUPAC3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCOCCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NO3S/c1-16-4-5-17-3-2-7(15)8-6-14-9(18-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyKRUYEOUDTNDPFC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.25
Rot. Bonds7

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

3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106782913) has the molecular formula C10H14F3NO3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106782913
Molecular FormulaC10H14F3NO3S
Molecular Weight285.29 g/mol
Exact Mass285.06
IUPAC Name3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCOCCOCCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NO3S/c1-16-4-5-17-3-2-7(15)8-6-14-9(18-8)10(11,12)13/h6-7,15H,2-5H2,1H3
InChIKeyKRUYEOUDTNDPFC-UHFFFAOYSA-N
XLogP2.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106782913) is 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is COCCOCCC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is KRUYEOUDTNDPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S/c1-16-4-5-17-3-2-7(15)8-6-14-9(18-8)10(11,12)13/h6-7,15H,2-5H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 285.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106782913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).