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

C9H6F3NO2S — CID 106782031

IUPACfuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4,7,14H
InChIKeyIEOCQTQPNAAROW-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.84
Rot. Bonds2

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

furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782031) has the molecular formula C9H6F3NO2S and a molecular weight of 249.21 g/mol. Its IUPAC name is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782031
Molecular FormulaC9H6F3NO2S
Molecular Weight249.21 g/mol
Exact Mass249.01
IUPAC Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4,7,14H
InChIKeyIEOCQTQPNAAROW-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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Related Compounds

CID 10678964
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CID 106782025
CID 106782025
CID 106782034
CID 106782034
CID 106782073
CID 106782073
CID 106782076
CID 106782076
CID 106782471
CID 106782471
CID 106782637
CID 106782637
CID 106783834
CID 106783834
CID 106784888
CID 106784888
CID 106786513
CID 106786513
CID 106786543
CID 106786543
CID 106786561
CID 106786561

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782031) is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is IEOCQTQPNAAROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO2S/c10-9(11,12)8-13-4-6(16-8)7(14)5-2-1-3-15-5/h1-4,7,14H.
What are the key properties of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
furan-2-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-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).