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

C13H18F3NO2S — CID 106782897

IUPAC(1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOC1(C(O)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C13H18F3NO2S/c1-2-19-12(6-4-3-5-7-12)10(18)9-8-17-11(20-9)13(14,15)16/h8,10,18H,2-7H2,1H3
InChIKeyMDUURGYAFCWCMZ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.93
Rot. Bonds4

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

(1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782897) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782897
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC Name(1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCOC1(C(O)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C13H18F3NO2S/c1-2-19-12(6-4-3-5-7-12)10(18)9-8-17-11(20-9)13(14,15)16/h8,10,18H,2-7H2,1H3
InChIKeyMDUURGYAFCWCMZ-UHFFFAOYSA-N
XLogP3.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782897) is (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CCOC1(C(O)c2cnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is MDUURGYAFCWCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2S/c1-2-19-12(6-4-3-5-7-12)10(18)9-8-17-11(20-9)13(14,15)16/h8,10,18H,2-7H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 309.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).