(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C13H16F3NOS — CID 106782312

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1=CC(C)CC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H16F3NOS/c1-7-3-8(2)5-9(4-7)11(18)10-6-17-12(19-10)13(14,15)16/h3,6-7,9,11,18H,4-5H2,1-2H3
InChIKeyXVVFBYMTBCYAQC-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.19
Rot. Bonds2

About (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782312) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782312
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC1=CC(C)CC(C(O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C13H16F3NOS/c1-7-3-8(2)5-9(4-7)11(18)10-6-17-12(19-10)13(14,15)16/h3,6-7,9,11,18H,4-5H2,1-2H3
InChIKeyXVVFBYMTBCYAQC-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782312) is (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC1=CC(C)CC(C(O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is XVVFBYMTBCYAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-7-3-8(2)5-9(4-7)11(18)10-6-17-12(19-10)13(14,15)16/h3,6-7,9,11,18H,4-5H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 291.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).