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

C8H7F6NOS — CID 91806392

IUPAC2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H7F6NOS/c1-2-4-3-15-5(17-4)6(16,7(9,10)11)8(12,13)14/h3,16H,2H2,1H3
InChIKeyPMNXTEKWPWJSSN-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.02
Rot. Bonds2

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

2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 91806392) has the molecular formula C8H7F6NOS and a molecular weight of 279.20 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID91806392
Molecular FormulaC8H7F6NOS
Molecular Weight279.20 g/mol
Exact Mass279.02
IUPAC Name2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C8H7F6NOS/c1-2-4-3-15-5(17-4)6(16,7(9,10)11)8(12,13)14/h3,16H,2H2,1H3
InChIKeyPMNXTEKWPWJSSN-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(Propan-2-yl)-1,3-thiazol-2-yl]methanol
CID 45096028
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
1,1,1,3,3,3-Hexafluoro-2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
CID 20729841
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
2-(1,1-Difluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 66804063
5-Ethyl-2-(trifluoromethyl)thiazole
CID 70315826
1,1,1-Trifluoro-2-(5-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 83384875
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-(5-methyl-2-thiazolyl)-2-propanol
CID 87069363

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 91806392) is 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCc1cnc(C(O)(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is PMNXTEKWPWJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NOS/c1-2-4-3-15-5(17-4)6(16,7(9,10)11)8(12,13)14/h3,16H,2H2,1H3.
What are the key properties of 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 279.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-thiazol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 91806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).