1-(fluoromethyl)pyridin-4-one

C6H6FNO — CID 161201978

IUPAC1-(fluoromethyl)pyridin-4-one
SMILESO=c1ccn(CF)cc1
InChIInChI=1S/C6H6FNO/c7-5-8-3-1-6(9)2-4-8/h1-4H,5H2
InChIKeyUVCDZPVKIDKCNY-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.78
Rot. Bonds1

About 1-(fluoromethyl)pyridin-4-one

1-(fluoromethyl)pyridin-4-one (PubChem CID 161201978) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 1-(fluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(fluoromethyl)pyridin-4-one
PubChem CID161201978
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name1-(fluoromethyl)pyridin-4-one
SMILESO=c1ccn(CF)cc1
InChIInChI=1S/C6H6FNO/c7-5-8-3-1-6(9)2-4-8/h1-4H,5H2
InChIKeyUVCDZPVKIDKCNY-UHFFFAOYSA-N
XLogP0.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2063589
N-Methyl-4-pyridone
CID 136515
trans-4-(Dimethylamino)-3-buten-2-one
CID 5369152
(3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 2779437
2-Fluoropyridin-4-ol
CID 2762834
4-(Dimethylamino)but-3-en-2-one
CID 566952
Pyridine, 2-chloro-1,4-dihydro-1-methyl-4-oxo-
CID 123233898
1-Vinyl-4-pyridone
CID 13695371
1-ethylpyridin-4(1H)-one
CID 53989259
(3Z)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2303874
(Z)-4-(dimethylamino)but-3-en-2-one
CID 45085033
N-propargyl-4-pyridone
CID 62880347

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)pyridin-4-one?
The IUPAC name of 1-(fluoromethyl)pyridin-4-one (CID 161201978) is 1-(fluoromethyl)pyridin-4-one.
What is the SMILES notation for 1-(fluoromethyl)pyridin-4-one?
The canonical SMILES for 1-(fluoromethyl)pyridin-4-one is O=c1ccn(CF)cc1.
What is the InChIKey of 1-(fluoromethyl)pyridin-4-one?
The InChIKey is UVCDZPVKIDKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-5-8-3-1-6(9)2-4-8/h1-4H,5H2.
What are the key properties of 1-(fluoromethyl)pyridin-4-one?
1-(fluoromethyl)pyridin-4-one has a molecular weight of 127.12 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyridin-4-one is sourced from PubChem (CID 161201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).