[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol

C7H7F3O2S — CID 68684876

IUPAC[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol
SMILESCOc1csc(CO)c1C(F)(F)F
InChIInChI=1S/C7H7F3O2S/c1-12-4-3-13-5(2-11)6(4)7(8,9)10/h3,11H,2H2,1H3
InChIKeyGNHVFFKXKCPGTN-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.27
Rot. Bonds2

About [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol

[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol (PubChem CID 68684876) has the molecular formula C7H7F3O2S and a molecular weight of 212.19 g/mol. Its IUPAC name is [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol
PubChem CID68684876
Molecular FormulaC7H7F3O2S
Molecular Weight212.19 g/mol
Exact Mass212.01
IUPAC Name[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol
SMILESCOc1csc(CO)c1C(F)(F)F
InChIInChI=1S/C7H7F3O2S/c1-12-4-3-13-5(2-11)6(4)7(8,9)10/h3,11H,2H2,1H3
InChIKeyGNHVFFKXKCPGTN-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol?
The IUPAC name of [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol (CID 68684876) is [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol?
The canonical SMILES for [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol is COc1csc(CO)c1C(F)(F)F.
What is the InChIKey of [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol?
The InChIKey is GNHVFFKXKCPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O2S/c1-12-4-3-13-5(2-11)6(4)7(8,9)10/h3,11H,2H2,1H3.
What are the key properties of [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol?
[4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol has a molecular weight of 212.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(trifluoromethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 68684876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).