3-(5-chlorothiophen-2-yl)-5-fluorophenol

C10H6ClFOS — CID 83131288

IUPAC3-(5-chlorothiophen-2-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H6ClFOS/c11-10-2-1-9(14-10)6-3-7(12)5-8(13)4-6/h1-5,13H
InChIKeyHNSPWPPDXXNLND-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.91
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-5-fluorophenol

3-(5-chlorothiophen-2-yl)-5-fluorophenol (PubChem CID 83131288) has the molecular formula C10H6ClFOS and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-fluorophenol.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-fluorophenol
PubChem CID83131288
Molecular FormulaC10H6ClFOS
Molecular Weight228.68 g/mol
Exact Mass227.98
IUPAC Name3-(5-chlorothiophen-2-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H6ClFOS/c11-10-2-1-9(14-10)6-3-7(12)5-8(13)4-6/h1-5,13H
InChIKeyHNSPWPPDXXNLND-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-fluorophenol?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-fluorophenol (CID 83131288) is 3-(5-chlorothiophen-2-yl)-5-fluorophenol.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-fluorophenol?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-fluorophenol is Oc1cc(F)cc(-c2ccc(Cl)s2)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-fluorophenol?
The InChIKey is HNSPWPPDXXNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFOS/c11-10-2-1-9(14-10)6-3-7(12)5-8(13)4-6/h1-5,13H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-fluorophenol?
3-(5-chlorothiophen-2-yl)-5-fluorophenol has a molecular weight of 228.68 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-fluorophenol is sourced from PubChem (CID 83131288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).