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

C11H14F3NOS — CID 106781953

IUPAC2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-7-4-2-3-5-10(7,16)8-6-15-9(17-8)11(12,13)14/h6-7,16H,2-5H2,1H3
InChIKeyIBIYNCBLXWVMEB-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.56
Rot. Bonds1

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

2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781953) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781953
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1CCCCC1(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-7-4-2-3-5-10(7,16)8-6-15-9(17-8)11(12,13)14/h6-7,16H,2-5H2,1H3
InChIKeyIBIYNCBLXWVMEB-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781953) is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CC1CCCCC1(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is IBIYNCBLXWVMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-7-4-2-3-5-10(7,16)8-6-15-9(17-8)11(12,13)14/h6-7,16H,2-5H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 265.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).