furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C9H6F3NO2S — CID 106782086

IUPACfuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccoc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h1-4,7,14H
InChIKeyDVVJDFLPCTVFIM-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.84
Rot. Bonds2

About furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782086) has the molecular formula C9H6F3NO2S and a molecular weight of 249.21 g/mol. Its IUPAC name is furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Namefuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782086
Molecular FormulaC9H6F3NO2S
Molecular Weight249.21 g/mol
Exact Mass249.01
IUPAC Namefuran-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccoc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h1-4,7,14H
InChIKeyDVVJDFLPCTVFIM-UHFFFAOYSA-N
XLogP2.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782086) is furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1ccoc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is DVVJDFLPCTVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-3-6(16-8)7(14)5-1-2-15-4-5/h1-4,7,14H.
What are the key properties of furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 249.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).