1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone

C10H9FO3 — CID 58149469

IUPAC1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(C(=O)CF)cc1
InChIInChI=1S/C10H9FO3/c11-5-9(13)7-1-3-8(4-2-7)10(14)6-12/h1-4,12H,5-6H2
InChIKeyZADGEASTKHNGDW-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.01
Rot. Bonds4

About 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone

1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone (PubChem CID 58149469) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone
PubChem CID58149469
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(C(=O)CF)cc1
InChIInChI=1S/C10H9FO3/c11-5-9(13)7-1-3-8(4-2-7)10(14)6-12/h1-4,12H,5-6H2
InChIKeyZADGEASTKHNGDW-UHFFFAOYSA-N
XLogP1.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-(4-iodophenyl)ethanone
CID 87150711
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
benzene;2-hydroxy-1-phenylethanone
CID 174663024
azane;2-hydroxy-1-phenylethanone
CID 161228887
[4-(2-hydroxyacetyl)phenyl]boronic acid
CID 67818650
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
(2S)-2-amino-3-[4-(2-fluoroacetyl)phenyl]propanoic acid
CID 102494901
2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
CID 15043870
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone (CID 58149469) is 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(C(=O)CF)cc1.
What is the InChIKey of 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone?
The InChIKey is ZADGEASTKHNGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-5-9(13)7-1-3-8(4-2-7)10(14)6-12/h1-4,12H,5-6H2.
What are the key properties of 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone?
1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone has a molecular weight of 196.18 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone is sourced from PubChem (CID 58149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).