[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol

C7H5F5OS — CID 154577233

IUPAC[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol
SMILESOCc1csc(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5-1-4(2-13)3-14-5/h1,3,13H,2H2
InChIKeyVKEYKIONTNCCSV-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.89
Rot. Bonds2

About [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol

[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol (PubChem CID 154577233) has the molecular formula C7H5F5OS and a molecular weight of 232.17 g/mol. Its IUPAC name is [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol
PubChem CID154577233
Molecular FormulaC7H5F5OS
Molecular Weight232.17 g/mol
Exact Mass232.00
IUPAC Name[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol
SMILESOCc1csc(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5-1-4(2-13)3-14-5/h1,3,13H,2H2
InChIKeyVKEYKIONTNCCSV-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-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 [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol?
The IUPAC name of [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol (CID 154577233) is [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol.
What is the SMILES notation for [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol?
The canonical SMILES for [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol is OCc1csc(C(F)(F)C(F)(F)F)c1.
What is the InChIKey of [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol?
The InChIKey is VKEYKIONTNCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5OS/c8-6(9,7(10,11)12)5-1-4(2-13)3-14-5/h1,3,13H,2H2.
What are the key properties of [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol?
[5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol has a molecular weight of 232.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,2,2,2-pentafluoroethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 154577233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).