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

C11H6F5NOS — CID 106782057

IUPAC(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H6F5NOS/c12-6-2-1-5(3-7(6)13)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H
InChIKeyAZWDYTBCZPCEHQ-UHFFFAOYSA-N
MW295.23 g/mol
LogP3.52
Rot. Bonds2

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

(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782057) has the molecular formula C11H6F5NOS and a molecular weight of 295.23 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782057
Molecular FormulaC11H6F5NOS
Molecular Weight295.23 g/mol
Exact Mass295.01
IUPAC Name(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1ccc(F)c(F)c1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H6F5NOS/c12-6-2-1-5(3-7(6)13)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H
InChIKeyAZWDYTBCZPCEHQ-UHFFFAOYSA-N
XLogP3.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782148
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
(4-methoxy-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782078
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605
[(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786791
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
(5-chloro-1,3-thiazol-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287944
(4-bromo-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783780
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782057) is (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1ccc(F)c(F)c1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is AZWDYTBCZPCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5NOS/c12-6-2-1-5(3-7(6)13)9(18)8-4-17-10(19-8)11(14,15)16/h1-4,9,18H.
What are the key properties of (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 295.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).