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

C12H11F6NOS — CID 166045434

IUPAC[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-21-10(19-8)12(16,17)18/h5-7H,1-4H2
InChIKeyYIZINCWQQVLXCP-UHFFFAOYSA-N
MW331.28 g/mol
LogP4.71
Rot. Bonds2

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

[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 166045434) has the molecular formula C12H11F6NOS and a molecular weight of 331.28 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID166045434
Molecular FormulaC12H11F6NOS
Molecular Weight331.28 g/mol
Exact Mass331.05
IUPAC Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H11F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-21-10(19-8)12(16,17)18/h5-7H,1-4H2
InChIKeyYIZINCWQQVLXCP-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 166045434) is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is YIZINCWQQVLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NOS/c13-11(14,15)7-3-1-6(2-4-7)9(20)8-5-21-10(19-8)12(16,17)18/h5-7H,1-4H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 331.28 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 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-4-yl]methanone is sourced from PubChem (CID 166045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).