3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

C10H14F3NOS — CID 106782217

IUPAC3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(C)(C)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-8(2,3)9(4,15)6-5-14-7(16-6)10(11,12)13/h5,15H,1-4H3
InChIKeyHUNHXHZMZLQCIJ-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.42
Rot. Bonds1

About 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol

3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (PubChem CID 106782217) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
PubChem CID106782217
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
SMILESCC(C)(C)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-8(2,3)9(4,15)6-5-14-7(16-6)10(11,12)13/h5,15H,1-4H3
InChIKeyHUNHXHZMZLQCIJ-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782166
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106781987
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
CID 106784187
2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
CID 106782206
2,5-bis(2-iodopropan-2-yl)-1,3-thiazole
CID 126604102
2-(trifluoromethyl)-1,3-thiazole-5-sulfinic acid
CID 146571352
2-(2-fluoropropan-2-yl)-1,3-thiazol-5-amine
CID 84764246
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol (CID 106782217) is 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is CC(C)(C)C(C)(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
The InChIKey is HUNHXHZMZLQCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-8(2,3)9(4,15)6-5-14-7(16-6)10(11,12)13/h5,15H,1-4H3.
What are the key properties of 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol?
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol has a molecular weight of 253.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol is sourced from PubChem (CID 106782217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).