4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

C12H16F3NOS — CID 106782124

IUPAC4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H16F3NOS/c1-10(2)3-5-11(17,6-4-10)8-7-16-9(18-8)12(13,14)15/h7,17H,3-6H2,1-2H3
InChIKeyFHLAYMUIHOTNEV-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.95
Rot. Bonds1

About 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106782124) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106782124
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H16F3NOS/c1-10(2)3-5-11(17,6-4-10)8-7-16-9(18-8)12(13,14)15/h7,17H,3-6H2,1-2H3
InChIKeyFHLAYMUIHOTNEV-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106782124) is 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CC1(C)CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is FHLAYMUIHOTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-10(2)3-5-11(17,6-4-10)8-7-16-9(18-8)12(13,14)15/h7,17H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 279.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).