1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one

C14H9F2NO — CID 18987690

IUPAC1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(F)cc1)c1cccc(F)n1
InChIInChI=1S/C14H9F2NO/c1-9(12-3-2-4-13(16)17-12)14(18)10-5-7-11(15)8-6-10/h2-8H,1H2
InChIKeyDRKJGKFOVADYBO-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.26
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one

1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one (PubChem CID 18987690) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one
PubChem CID18987690
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(F)cc1)c1cccc(F)n1
InChIInChI=1S/C14H9F2NO/c1-9(12-3-2-4-13(16)17-12)14(18)10-5-7-11(15)8-6-10/h2-8H,1H2
InChIKeyDRKJGKFOVADYBO-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Benzoylpyridine
CID 7038
2-Acetyl-6-methylpyridine
CID 138872
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CID 11379626
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448
2,7,7-trimethyl-7,8-dihydro-5(6H)-quinolinone
CID 5055591
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
(6-Bromo-2-pyridinyl)(4-methylphenyl)methanone
CID 13191750
1-(Quinolin-2-yl)ethan-1-one
CID 318703
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one (CID 18987690) is 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one is C=C(C(=O)c1ccc(F)cc1)c1cccc(F)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one?
The InChIKey is DRKJGKFOVADYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-9(12-3-2-4-13(16)17-12)14(18)10-5-7-11(15)8-6-10/h2-8H,1H2.
What are the key properties of 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one?
1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one has a molecular weight of 245.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(6-fluoro-2-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 18987690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).