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

C12H9F4NOS — CID 90418878

IUPAC[3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2CO)c(F)c1
InChIInChI=1S/C12H9F4NOS/c1-6-2-3-7(9(13)4-6)10-8(5-18)11(19-17-10)12(14,15)16/h2-4,18H,5H2,1H3
InChIKeyFERWEYXGNFYIKA-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.77
Rot. Bonds2

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

[3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418878) has the molecular formula C12H9F4NOS and a molecular weight of 291.27 g/mol. Its IUPAC name is [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418878
Molecular FormulaC12H9F4NOS
Molecular Weight291.27 g/mol
Exact Mass291.03
IUPAC Name[3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nsc(C(F)(F)F)c2CO)c(F)c1
InChIInChI=1S/C12H9F4NOS/c1-6-2-3-7(9(13)4-6)10-8(5-18)11(19-17-10)12(14,15)16/h2-4,18H,5H2,1H3
InChIKeyFERWEYXGNFYIKA-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol (CID 90418878) is [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is Cc1ccc(-c2nsc(C(F)(F)F)c2CO)c(F)c1.
What is the InChIKey of [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is FERWEYXGNFYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NOS/c1-6-2-3-7(9(13)4-6)10-8(5-18)11(19-17-10)12(14,15)16/h2-4,18H,5H2,1H3.
What are the key properties of [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol?
[3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 291.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).