3,4,5-tris(fluoromethyl)-1H-pyridin-2-one

C8H8F3NO — CID 67155112

IUPAC3,4,5-tris(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)c(CF)c1CF
InChIInChI=1S/C8H8F3NO/c9-1-5-4-12-8(13)7(3-11)6(5)2-10/h4H,1-3H2,(H,12,13)
InChIKeyIWOWRINYRRTSRO-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.78
Rot. Bonds3

About 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one

3,4,5-tris(fluoromethyl)-1H-pyridin-2-one (PubChem CID 67155112) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4,5-tris(fluoromethyl)-1H-pyridin-2-one
PubChem CID67155112
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3,4,5-tris(fluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(CF)c(CF)c1CF
InChIInChI=1S/C8H8F3NO/c9-1-5-4-12-8(13)7(3-11)6(5)2-10/h4H,1-3H2,(H,12,13)
InChIKeyIWOWRINYRRTSRO-UHFFFAOYSA-N
XLogP1.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one (CID 67155112) is 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(CF)c(CF)c1CF.
What is the InChIKey of 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one?
The InChIKey is IWOWRINYRRTSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-1-5-4-12-8(13)7(3-11)6(5)2-10/h4H,1-3H2,(H,12,13).
What are the key properties of 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one?
3,4,5-tris(fluoromethyl)-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(fluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 67155112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).