1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol

C6H3F6NOS — CID 166610479

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol
SMILESOC(c1cscn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F6NOS/c7-5(8,9)4(14,6(10,11)12)3-1-15-2-13-3/h1-2,14H
InChIKeyJDDAJCQUXBWEHZ-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.46
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol (PubChem CID 166610479) has the molecular formula C6H3F6NOS and a molecular weight of 251.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol
PubChem CID166610479
Molecular FormulaC6H3F6NOS
Molecular Weight251.15 g/mol
Exact Mass250.98
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol
SMILESOC(c1cscn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F6NOS/c7-5(8,9)4(14,6(10,11)12)3-1-15-2-13-3/h1-2,14H
InChIKeyJDDAJCQUXBWEHZ-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-thiazol-4-yl)propan-2-ol
CID 91099145
2,4-dimethyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 131181656
4-[difluoro(phenyl)methyl]-1,3-thiazole
CID 173034987
2-methyl-3-(1,3-thiazol-4-yl)pentan-3-ol
CID 130697684
2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
CID 130688334
(1S)-2,2,2-trifluoro-1-(1,3-thiazol-4-yl)ethanol
CID 131205899
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
CID 130871256
4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
2-propan-2-yloxy-2-(1,3-thiazol-4-yl)propanoic acid
CID 84681137
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol (CID 166610479) is 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol is OC(c1cscn1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is JDDAJCQUXBWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NOS/c7-5(8,9)4(14,6(10,11)12)3-1-15-2-13-3/h1-2,14H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 251.15 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 166610479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).