4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one

C8H7F4NO2 — CID 118834640

IUPAC4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(CF)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c1-4-7(15-8(10,11)12)5(3-9)2-6(14)13-4/h2H,3H2,1H3,(H,13,14)
InChIKeySRUUHEZVPZYBNE-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.05
Rot. Bonds2

About 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one

4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118834640) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118834640
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)cc(CF)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c1-4-7(15-8(10,11)12)5(3-9)2-6(14)13-4/h2H,3H2,1H3,(H,13,14)
InChIKeySRUUHEZVPZYBNE-UHFFFAOYSA-N
XLogP2.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118834640) is 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is Cc1[nH]c(=O)cc(CF)c1OC(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is SRUUHEZVPZYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c1-4-7(15-8(10,11)12)5(3-9)2-6(14)13-4/h2H,3H2,1H3,(H,13,14).
What are the key properties of 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 225.14 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118834640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).