4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

C7H4F4INO2 — CID 118800768

IUPAC4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(CF)c1I
InChIInChI=1S/C7H4F4INO2/c8-1-3-4(15-7(9,10)11)2-13-6(14)5(3)12/h2H,1H2,(H,13,14)
InChIKeyGHSWCZNODFPVRM-UHFFFAOYSA-N
MW337.01 g/mol
LogP2.35
Rot. Bonds2

About 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118800768) has the molecular formula C7H4F4INO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118800768
Molecular FormulaC7H4F4INO2
Molecular Weight337.01 g/mol
Exact Mass336.92
IUPAC Name4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(CF)c1I
InChIInChI=1S/C7H4F4INO2/c8-1-3-4(15-7(9,10)11)2-13-6(14)5(3)12/h2H,1H2,(H,13,14)
InChIKeyGHSWCZNODFPVRM-UHFFFAOYSA-N
XLogP2.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118800768) is 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)c(CF)c1I.
What is the InChIKey of 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is GHSWCZNODFPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO2/c8-1-3-4(15-7(9,10)11)2-13-6(14)5(3)12/h2H,1H2,(H,13,14).
What are the key properties of 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 337.01 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118800768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).