4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol

C9H9F6NOS — CID 103312549

IUPAC4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol
SMILESCc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)cs1
InChIInChI=1S/C9H9F6NOS/c1-4-16-5(3-18-4)2-6(17)7(8(10,11)12)9(13,14)15/h3,6-7,17H,2H2,1H3
InChIKeyXUDSKHGOOZYKOB-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.10
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312549) has the molecular formula C9H9F6NOS and a molecular weight of 293.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol
PubChem CID103312549
Molecular FormulaC9H9F6NOS
Molecular Weight293.23 g/mol
Exact Mass293.03
IUPAC Name4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol
SMILESCc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)cs1
InChIInChI=1S/C9H9F6NOS/c1-4-16-5(3-18-4)2-6(17)7(8(10,11)12)9(13,14)15/h3,6-7,17H,2H2,1H3
InChIKeyXUDSKHGOOZYKOB-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol (CID 103312549) is 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol is Cc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)cs1.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol?
The InChIKey is XUDSKHGOOZYKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6NOS/c1-4-16-5(3-18-4)2-6(17)7(8(10,11)12)9(13,14)15/h3,6-7,17H,2H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol has a molecular weight of 293.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).