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

C12H16F3NOS — CID 106781951

IUPAC4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H16F3NOS/c1-2-8-3-5-11(17,6-4-8)9-7-16-10(18-9)12(13,14)15/h7-8,17H,2-6H2,1H3
InChIKeyFBOVWIDLFUGVDM-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.95
Rot. Bonds2

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

4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781951) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781951
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C12H16F3NOS/c1-2-8-3-5-11(17,6-4-8)9-7-16-10(18-9)12(13,14)15/h7-8,17H,2-6H2,1H3
InChIKeyFBOVWIDLFUGVDM-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781951) is 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is FBOVWIDLFUGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-2-8-3-5-11(17,6-4-8)9-7-16-10(18-9)12(13,14)15/h7-8,17H,2-6H2,1H3.
What are the key properties of 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 279.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).