1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone

C11H5F4NOS — CID 152953075

IUPAC1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(F)c(F)nc(F)c2F)s1
InChIInChI=1S/C11H5F4NOS/c1-4(17)5-2-3-6(18-5)7-8(12)10(14)16-11(15)9(7)13/h2-3H,1H3
InChIKeyUPBYJZXQEWSFCO-UHFFFAOYSA-N
MW275.23 g/mol
LogP3.57
Rot. Bonds2

About 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone

1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone (PubChem CID 152953075) has the molecular formula C11H5F4NOS and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone
PubChem CID152953075
Molecular FormulaC11H5F4NOS
Molecular Weight275.23 g/mol
Exact Mass275.00
IUPAC Name1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(F)c(F)nc(F)c2F)s1
InChIInChI=1S/C11H5F4NOS/c1-4(17)5-2-3-6(18-5)7-8(12)10(14)16-11(15)9(7)13/h2-3H,1H3
InChIKeyUPBYJZXQEWSFCO-UHFFFAOYSA-N
XLogP3.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone (CID 152953075) is 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2c(F)c(F)nc(F)c2F)s1.
What is the InChIKey of 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone?
The InChIKey is UPBYJZXQEWSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NOS/c1-4(17)5-2-3-6(18-5)7-8(12)10(14)16-11(15)9(7)13/h2-3H,1H3.
What are the key properties of 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone?
1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone has a molecular weight of 275.23 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,5,6-tetrafluoro-4-pyridinyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 152953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).