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

C7H8F3NOS — CID 106784198

IUPAC3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESOCCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6-11-4-5(13-6)2-1-3-12/h4,12H,1-3H2
InChIKeyORAHXRAUCXHYSU-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.09
Rot. Bonds3

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

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106784198) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID106784198
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
SMILESOCCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6-11-4-5(13-6)2-1-3-12/h4,12H,1-3H2
InChIKeyORAHXRAUCXHYSU-UHFFFAOYSA-N
XLogP2.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106784198) is 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is OCCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is ORAHXRAUCXHYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)6-11-4-5(13-6)2-1-3-12/h4,12H,1-3H2.
What are the key properties of 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 211.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106784198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).