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

C12H13F6NOS — CID 106786619

IUPAC[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-19-10(21-8)12(16,17)18/h5-7,9,20H,1-4H2
InChIKeyVRZBCWBTBSXCNJ-UHFFFAOYSA-N
MW333.30 g/mol
LogP4.56
Rot. Bonds2

About [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786619) has the molecular formula C12H13F6NOS and a molecular weight of 333.30 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786619
Molecular FormulaC12H13F6NOS
Molecular Weight333.30 g/mol
Exact Mass333.06
IUPAC Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-19-10(21-8)12(16,17)18/h5-7,9,20H,1-4H2
InChIKeyVRZBCWBTBSXCNJ-UHFFFAOYSA-N
XLogP4.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782199
(3,5-dimethylcyclohex-3-en-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782312
2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786521
[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106787152
1,4-dithian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782835
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782171
1,4-dioxan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786554
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782918
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106786585
[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786619) is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VRZBCWBTBSXCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-19-10(21-8)12(16,17)18/h5-7,9,20H,1-4H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 333.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).