3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

C13H18F3NOS — CID 106781949

IUPAC3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H18F3NOS/c1-8-4-11(2,3)7-12(18,5-8)9-6-17-10(19-9)13(14,15)16/h6,8,18H,4-5,7H2,1-3H3
InChIKeyVVDZJJZGPQBZCM-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds1

About 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781949) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781949
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H18F3NOS/c1-8-4-11(2,3)7-12(18,5-8)9-6-17-10(19-9)13(14,15)16/h6,8,18H,4-5,7H2,1-3H3
InChIKeyVVDZJJZGPQBZCM-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781949) is 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CC1CC(C)(C)CC(O)(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is VVDZJJZGPQBZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-8-4-11(2,3)7-12(18,5-8)9-6-17-10(19-9)13(14,15)16/h6,8,18H,4-5,7H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 293.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).