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

C8H7F4NO2 — CID 130111993

IUPAC6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c1-4-2-6(14)13-5(3-9)7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyFNCQGIIHWRATHP-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.05
Rot. Bonds2

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

6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130111993) has the molecular formula C8H7F4NO2 and a molecular weight of 225.14 g/mol. Its IUPAC name is 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130111993
Molecular FormulaC8H7F4NO2
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(CF)c1OC(F)(F)F
InChIInChI=1S/C8H7F4NO2/c1-4-2-6(14)13-5(3-9)7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyFNCQGIIHWRATHP-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 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130111993) is 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is Cc1cc(=O)[nH]c(CF)c1OC(F)(F)F.
What is the InChIKey of 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FNCQGIIHWRATHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2/c1-4-2-6(14)13-5(3-9)7(4)15-8(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one?
6-(fluoromethyl)-4-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 6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130111993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).