thiophen-3-yl 4-fluorobenzoate

C11H7FO2S — CID 70094612

IUPACthiophen-3-yl 4-fluorobenzoate
SMILESO=C(Oc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-8(2-4-9)11(13)14-10-5-6-15-7-10/h1-7H
InChIKeyBIWDNKDRIHTMIS-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.11
Rot. Bonds2

About thiophen-3-yl 4-fluorobenzoate

thiophen-3-yl 4-fluorobenzoate (PubChem CID 70094612) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is thiophen-3-yl 4-fluorobenzoate.

Molecular Properties

Compound Namethiophen-3-yl 4-fluorobenzoate
PubChem CID70094612
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Namethiophen-3-yl 4-fluorobenzoate
SMILESO=C(Oc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-8(2-4-9)11(13)14-10-5-6-15-7-10/h1-7H
InChIKeyBIWDNKDRIHTMIS-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl 4-fluorobenzoate?
The IUPAC name of thiophen-3-yl 4-fluorobenzoate (CID 70094612) is thiophen-3-yl 4-fluorobenzoate.
What is the SMILES notation for thiophen-3-yl 4-fluorobenzoate?
The canonical SMILES for thiophen-3-yl 4-fluorobenzoate is O=C(Oc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of thiophen-3-yl 4-fluorobenzoate?
The InChIKey is BIWDNKDRIHTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-3-1-8(2-4-9)11(13)14-10-5-6-15-7-10/h1-7H.
What are the key properties of thiophen-3-yl 4-fluorobenzoate?
thiophen-3-yl 4-fluorobenzoate has a molecular weight of 222.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl 4-fluorobenzoate is sourced from PubChem (CID 70094612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).