3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one

C15H9FO — CID 134860458

IUPAC3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H9FO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H
InChIKeyYKVNXNOWDDAWQM-UHFFFAOYSA-N
MW224.23 g/mol
LogP3.06
Rot. Bonds1

About 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one

3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one (PubChem CID 134860458) has the molecular formula C15H9FO and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one
PubChem CID134860458
Molecular FormulaC15H9FO
Molecular Weight224.23 g/mol
Exact Mass224.06
IUPAC Name3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C15H9FO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H
InChIKeyYKVNXNOWDDAWQM-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;2-fluorobenzonitrile
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3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
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4-fluoro-1-phenylbut-2-yn-1-one
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3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
3-(4-methoxy-2-methylphenyl)-1-phenylprop-2-yn-1-one
CID 102133146
CID 66647890
CID 66647890
3-(3-bromophenyl)-1-phenylprop-2-yn-1-one
CID 13072742
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
1-phenylpenta-2,4-diyn-1-one
CID 592950
3-methoxy-1-phenylprop-2-yn-1-one
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4-fluoro-1-phenylpent-2-yn-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one (CID 134860458) is 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one is O=C(C#Cc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one?
The InChIKey is YKVNXNOWDDAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H.
What are the key properties of 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one?
3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one has a molecular weight of 224.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one is sourced from PubChem (CID 134860458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).