1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

C10H11F6NOS — CID 103312597

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)sc1C
InChIInChI=1S/C10H11F6NOS/c1-4-5(2)19-7(17-4)3-6(18)8(9(11,12)13)10(14,15)16/h6,8,18H,3H2,1-2H3
InChIKeyRQRFSHWGBJDXLK-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.40
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312597) has the molecular formula C10H11F6NOS and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
PubChem CID103312597
Molecular FormulaC10H11F6NOS
Molecular Weight307.26 g/mol
Exact Mass307.05
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)sc1C
InChIInChI=1S/C10H11F6NOS/c1-4-5(2)19-7(17-4)3-6(18)8(9(11,12)13)10(14,15)16/h6,8,18H,3H2,1-2H3
InChIKeyRQRFSHWGBJDXLK-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (CID 103312597) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is Cc1nc(CC(O)C(C(F)(F)F)C(F)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The InChIKey is RQRFSHWGBJDXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NOS/c1-4-5(2)19-7(17-4)3-6(18)8(9(11,12)13)10(14,15)16/h6,8,18H,3H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol has a molecular weight of 307.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).