(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one

C20H16FNO2 — CID 154716329

IUPAC(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
SMILESC=C[C@@H](c1ccco1)[C@](F)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16FNO2/c1-2-16(17-11-8-14-24-17)20(21,18-12-6-7-13-22-18)19(23)15-9-4-3-5-10-15/h2-14,16H,1H2/t16-,20+/m0/s1
InChIKeyPCXOBDGKNLYCFX-OXJNMPFZSA-N
MW321.35 g/mol
LogP4.69
Rot. Bonds6

About (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one

(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one (PubChem CID 154716329) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
PubChem CID154716329
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one
SMILESC=C[C@@H](c1ccco1)[C@](F)(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16FNO2/c1-2-16(17-11-8-14-24-17)20(21,18-12-6-7-13-22-18)19(23)15-9-4-3-5-10-15/h2-14,16H,1H2/t16-,20+/m0/s1
InChIKeyPCXOBDGKNLYCFX-OXJNMPFZSA-N
XLogP4.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
3-(Furan-2-yl)pyridine
CID 11137298
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
4-(Benzofuran-5-yl)pyridine
CID 69909895
3-[4-(Furan-2-yl)-3-pyridinyl]prop-2-yn-1-amine;dihydrochloride
CID 145957778
4-(2-Benzofuranyl)pyridine
CID 65590
Inicarone
CID 65811
Diethyl 7-(2-furyl)-2-methyl-5-oxo-4-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
CID 2969673

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The IUPAC name of (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one (CID 154716329) is (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one.
What is the SMILES notation for (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The canonical SMILES for (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one is C=C[C@@H](c1ccco1)[C@](F)(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
The InChIKey is PCXOBDGKNLYCFX-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-2-16(17-11-8-14-24-17)20(21,18-12-6-7-13-22-18)19(23)15-9-4-3-5-10-15/h2-14,16H,1H2/t16-,20+/m0/s1.
What are the key properties of (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one?
(2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one has a molecular weight of 321.35 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-3-(furan-2-yl)-1-phenyl-2-pyridin-2-ylpent-4-en-1-one is sourced from PubChem (CID 154716329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).