2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol

C11H8F6N2OS — CID 101488939

IUPAC2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol
SMILESCn1nc(-c2ccc(C(O)C(F)(F)F)s2)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N2OS/c1-19-8(10(12,13)14)4-5(18-19)6-2-3-7(21-6)9(20)11(15,16)17/h2-4,9,20H,1H3
InChIKeyFJJHHPISXACORP-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.76
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol

2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol (PubChem CID 101488939) has the molecular formula C11H8F6N2OS and a molecular weight of 330.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol
PubChem CID101488939
Molecular FormulaC11H8F6N2OS
Molecular Weight330.25 g/mol
Exact Mass330.03
IUPAC Name2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol
SMILESCn1nc(-c2ccc(C(O)C(F)(F)F)s2)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N2OS/c1-19-8(10(12,13)14)4-5(18-19)6-2-3-7(21-6)9(20)11(15,16)17/h2-4,9,20H,1H3
InChIKeyFJJHHPISXACORP-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol with MolForge

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Related Compounds

1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
{5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl}methanol
CID 2780713
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
1-[[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol
CID 49834813
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
5-[5-(2-Fluoroethyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 68970937
3-[5-(2-Fluoroethyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 68972413
3-[5-(3-Fluoropropyl)thiophen-2-yl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 68973247
5-[5-(3-Fluoropropyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 68974056
2-[1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethylamino]-1-phenylethanol
CID 69704770

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol (CID 101488939) is 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol is Cn1nc(-c2ccc(C(O)C(F)(F)F)s2)cc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol?
The InChIKey is FJJHHPISXACORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N2OS/c1-19-8(10(12,13)14)4-5(18-19)6-2-3-7(21-6)9(20)11(15,16)17/h2-4,9,20H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol?
2,2,2-trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol has a molecular weight of 330.25 g/mol, XLogP of 3.76, 2 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-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol is sourced from PubChem (CID 101488939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).