2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol

C18H13F4NO2S — CID 46942926

IUPAC2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)(c2ccccc2)C(F)(F)F)n1
InChIInChI=1S/C18H13F4NO2S/c1-25-15-9-12(19)7-8-13(15)14-10-26-16(23-14)17(24,18(20,21)22)11-5-3-2-4-6-11/h2-10,24H,1H3
InChIKeyMFTMMJDDQARNBS-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.76
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol

2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol (PubChem CID 46942926) has the molecular formula C18H13F4NO2S and a molecular weight of 383.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
PubChem CID46942926
Molecular FormulaC18H13F4NO2S
Molecular Weight383.37 g/mol
Exact Mass383.06
IUPAC Name2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
SMILESCOc1cc(F)ccc1-c1csc(C(O)(c2ccccc2)C(F)(F)F)n1
InChIInChI=1S/C18H13F4NO2S/c1-25-15-9-12(19)7-8-13(15)14-10-26-16(23-14)17(24,18(20,21)22)11-5-3-2-4-6-11/h2-10,24H,1H3
InChIKeyMFTMMJDDQARNBS-UHFFFAOYSA-N
XLogP4.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol (CID 46942926) is 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol is COc1cc(F)ccc1-c1csc(C(O)(c2ccccc2)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol?
The InChIKey is MFTMMJDDQARNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO2S/c1-25-15-9-12(19)7-8-13(15)14-10-26-16(23-14)17(24,18(20,21)22)11-5-3-2-4-6-11/h2-10,24H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol?
2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol has a molecular weight of 383.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol is sourced from PubChem (CID 46942926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).