2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C6H2BrF6NOS — CID 86638585

IUPAC2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cnc(Br)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2BrF6NOS/c7-3-14-1-2(16-3)4(15,5(8,9)10)6(11,12)13/h1,15H
InChIKeyHVRLMJJDIVXDET-UHFFFAOYSA-N
MW330.05 g/mol
LogP3.22
Rot. Bonds1

About 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 86638585) has the molecular formula C6H2BrF6NOS and a molecular weight of 330.05 g/mol. Its IUPAC name is 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID86638585
Molecular FormulaC6H2BrF6NOS
Molecular Weight330.05 g/mol
Exact Mass328.89
IUPAC Name2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cnc(Br)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2BrF6NOS/c7-3-14-1-2(16-3)4(15,5(8,9)10)6(11,12)13/h1,15H
InChIKeyHVRLMJJDIVXDET-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.05
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-(2-Amino-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2318066
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952
1-(2-Bromothiazol-5-yl)-2,2,2-trifluoroethanol
CID 59466567
2,2,2-Trifluoro-1-(thiazol-5-yl)ethanol
CID 67130512
5-Thiazolemethanol, 2-chloro-alpha-(trifluoromethyl)-
CID 67401954
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)thiazole-2-carbaldehyde
CID 86638584
1,1,1,3,3,3-Hexafluoro-2-(2-(hydroxymethyl)thiazol-5-yl)propan-2-ol
CID 86638586
1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-5-yl)propan-2-ol
CID 91107423
(2R)-1,1,1-trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103127
1,1,1-Trifluoro-2-(1,3-thiazol-5-yl)butan-2-ol
CID 141103138
1-Fluoro-1-(1,3-thiazol-5-yl)ethanol
CID 150214517

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 86638585) is 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1cnc(Br)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HVRLMJJDIVXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF6NOS/c7-3-14-1-2(16-3)4(15,5(8,9)10)6(11,12)13/h1,15H.
What are the key properties of 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 330.05 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1,3-thiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 86638585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).