2-fluoro-2-thiophen-3-ylpropane-1,3-diol

C7H9FO2S — CID 100969557

IUPAC2-fluoro-2-thiophen-3-ylpropane-1,3-diol
SMILESOCC(F)(CO)c1ccsc1
InChIInChI=1S/C7H9FO2S/c8-7(4-9,5-10)6-1-2-11-3-6/h1-3,9-10H,4-5H2
InChIKeyPBXDODZBGYGAFW-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.90
Rot. Bonds3

About 2-fluoro-2-thiophen-3-ylpropane-1,3-diol

2-fluoro-2-thiophen-3-ylpropane-1,3-diol (PubChem CID 100969557) has the molecular formula C7H9FO2S and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-fluoro-2-thiophen-3-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-fluoro-2-thiophen-3-ylpropane-1,3-diol
PubChem CID100969557
Molecular FormulaC7H9FO2S
Molecular Weight176.21 g/mol
Exact Mass176.03
IUPAC Name2-fluoro-2-thiophen-3-ylpropane-1,3-diol
SMILESOCC(F)(CO)c1ccsc1
InChIInChI=1S/C7H9FO2S/c8-7(4-9,5-10)6-1-2-11-3-6/h1-3,9-10H,4-5H2
InChIKeyPBXDODZBGYGAFW-UHFFFAOYSA-N
XLogP0.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-thiophen-3-ylpropane-1,3-diol?
The IUPAC name of 2-fluoro-2-thiophen-3-ylpropane-1,3-diol (CID 100969557) is 2-fluoro-2-thiophen-3-ylpropane-1,3-diol.
What is the SMILES notation for 2-fluoro-2-thiophen-3-ylpropane-1,3-diol?
The canonical SMILES for 2-fluoro-2-thiophen-3-ylpropane-1,3-diol is OCC(F)(CO)c1ccsc1.
What is the InChIKey of 2-fluoro-2-thiophen-3-ylpropane-1,3-diol?
The InChIKey is PBXDODZBGYGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2S/c8-7(4-9,5-10)6-1-2-11-3-6/h1-3,9-10H,4-5H2.
What are the key properties of 2-fluoro-2-thiophen-3-ylpropane-1,3-diol?
2-fluoro-2-thiophen-3-ylpropane-1,3-diol has a molecular weight of 176.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-thiophen-3-ylpropane-1,3-diol is sourced from PubChem (CID 100969557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).