4-fluoro-1-phenylpent-2-yn-1-one

C11H9FO — CID 73407849

IUPAC4-fluoro-1-phenylpent-2-yn-1-one
SMILESCC(F)C#CC(=O)c1ccccc1
InChIInChI=1S/C11H9FO/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9H,1H3
InChIKeyWUJFZXAMVVWQIO-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.23
Rot. Bonds1

About 4-fluoro-1-phenylpent-2-yn-1-one

4-fluoro-1-phenylpent-2-yn-1-one (PubChem CID 73407849) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-fluoro-1-phenylpent-2-yn-1-one.

Molecular Properties

Compound Name4-fluoro-1-phenylpent-2-yn-1-one
PubChem CID73407849
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name4-fluoro-1-phenylpent-2-yn-1-one
SMILESCC(F)C#CC(=O)c1ccccc1
InChIInChI=1S/C11H9FO/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9H,1H3
InChIKeyWUJFZXAMVVWQIO-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-phenylbut-2-yn-1-one
CID 67741597
1-phenylpenta-2,4-diyn-1-one
CID 592950
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908
3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
butane-2,3-diol;diphenylmethanone
CID 175235923
4-tert-butyl-4-hydroxy-5,5-dimethyl-1-phenylhex-2-yn-1-one
CID 71349301
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one
CID 134860458
fluoromethane benzoate
CID 162095004
3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
CID 11481454
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-phenylpent-2-yn-1-one?
The IUPAC name of 4-fluoro-1-phenylpent-2-yn-1-one (CID 73407849) is 4-fluoro-1-phenylpent-2-yn-1-one.
What is the SMILES notation for 4-fluoro-1-phenylpent-2-yn-1-one?
The canonical SMILES for 4-fluoro-1-phenylpent-2-yn-1-one is CC(F)C#CC(=O)c1ccccc1.
What is the InChIKey of 4-fluoro-1-phenylpent-2-yn-1-one?
The InChIKey is WUJFZXAMVVWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9H,1H3.
What are the key properties of 4-fluoro-1-phenylpent-2-yn-1-one?
4-fluoro-1-phenylpent-2-yn-1-one has a molecular weight of 176.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-phenylpent-2-yn-1-one is sourced from PubChem (CID 73407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).