3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol

C11H8F6O2S — CID 102722672

IUPAC3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F6O2S/c12-10(13,14)9(11(15,16)17)19-6-8-7(2-1-4-18)3-5-20-8/h3,5,9,18H,4,6H2
InChIKeyCXFDWRNOYCANRT-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.10
Rot. Bonds3

About 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol

3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 102722672) has the molecular formula C11H8F6O2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
PubChem CID102722672
Molecular FormulaC11H8F6O2S
Molecular Weight318.24 g/mol
Exact Mass318.01
IUPAC Name3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccsc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F6O2S/c12-10(13,14)9(11(15,16)17)19-6-8-7(2-1-4-18)3-5-20-8/h3,5,9,18H,4,6H2
InChIKeyCXFDWRNOYCANRT-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol 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 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol (CID 102722672) is 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol is OCC#Cc1ccsc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is CXFDWRNOYCANRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O2S/c12-10(13,14)9(11(15,16)17)19-6-8-7(2-1-4-18)3-5-20-8/h3,5,9,18H,4,6H2.
What are the key properties of 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol?
3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 318.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 102722672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).