[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone

C20H12FNO2S — CID 118911854

IUPAC[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H12FNO2S/c21-15-5-3-14(4-6-15)20-16(13-7-9-22-10-8-13)12-18(25-20)19(23)17-2-1-11-24-17/h1-12H
InChIKeyJMVFLKCZRJIBRU-UHFFFAOYSA-N
MW349.39 g/mol
LogP5.44
Rot. Bonds4

About [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone

[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone (PubChem CID 118911854) has the molecular formula C20H12FNO2S and a molecular weight of 349.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
PubChem CID118911854
Molecular FormulaC20H12FNO2S
Molecular Weight349.39 g/mol
Exact Mass349.06
IUPAC Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C20H12FNO2S/c21-15-5-3-14(4-6-15)20-16(13-7-9-22-10-8-13)12-18(25-20)19(23)17-2-1-11-24-17/h1-12H
InChIKeyJMVFLKCZRJIBRU-UHFFFAOYSA-N
XLogP5.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone (CID 118911854) is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone?
The InChIKey is JMVFLKCZRJIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2S/c21-15-5-3-14(4-6-15)20-16(13-7-9-22-10-8-13)12-18(25-20)19(23)17-2-1-11-24-17/h1-12H.
What are the key properties of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone?
[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 118911854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).