2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol

C12H9F3OS — CID 12034523

IUPAC2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
SMILESOC(c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H
InChIKeyKJGSPSPGFOCSDX-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.55
Rot. Bonds2

About 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol

2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol (PubChem CID 12034523) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
PubChem CID12034523
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol
SMILESOC(c1ccccc1)(c1cccs1)C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H
InChIKeyKJGSPSPGFOCSDX-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
4,4,4-Trifluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylbutan-1-one
CID 2832877
Phenyl(2-thienyl)methanol
CID 2741016
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
Diphenyl(thiophen-2-yl)methanol
CID 315631
1,3-Butanediol, 1-(2-thienyl)-4,4,4-trifluoro-3-trifluoromethyl-
CID 36956
4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
CID 36969
2-Ethyl-4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
CID 36970
4-(Thiophen-3-yl)phenol
CID 4130342
4-[(Thiophen-2-yl)methyl]phenol
CID 605440
1,1,1,3,3,3-Hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
CID 102004321
Diphenyl(thiophen-3-yl)methanol
CID 315629

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol (CID 12034523) is 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol is OC(c1ccccc1)(c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
The InChIKey is KJGSPSPGFOCSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-12(14,15)11(16,10-7-4-8-17-10)9-5-2-1-3-6-9/h1-8,16H.
What are the key properties of 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol?
2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol has a molecular weight of 258.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-1-thiophen-2-ylethanol is sourced from PubChem (CID 12034523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).