thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol

C12H9F3O2S — CID 63893402

IUPACthiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7,11,16H
InChIKeyFQULDZRTRGSRLM-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.73
Rot. Bonds3

About thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol

thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 63893402) has the molecular formula C12H9F3O2S and a molecular weight of 274.26 g/mol. Its IUPAC name is thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Namethiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID63893402
Molecular FormulaC12H9F3O2S
Molecular Weight274.26 g/mol
Exact Mass274.03
IUPAC Namethiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7,11,16H
InChIKeyFQULDZRTRGSRLM-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
(2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63893221
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 97106530
3-oxo-2-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]propanenitrile
CID 116628765
[4-(2-methoxyethyl)phenyl]-thiophen-2-ylmethanol
CID 55133973
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 90603468
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol (CID 63893402) is thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1cccs1.
What is the InChIKey of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FQULDZRTRGSRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2S/c13-12(14,15)17-9-5-3-8(4-6-9)11(16)10-2-1-7-18-10/h1-7,11,16H.
What are the key properties of thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol?
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 274.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63893402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).