3,5-bis(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 14148750

IUPAC3,5-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)5(15)14-2-3/h1-2H,(H,14,15)
InChIKeyIWSJDZMIJFAEBO-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.41
Rot. Bonds

About 3,5-bis(trifluoromethyl)-1H-pyridin-2-one

3,5-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 14148750) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID14148750
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name3,5-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)5(15)14-2-3/h1-2H,(H,14,15)
InChIKeyIWSJDZMIJFAEBO-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-bis(trifluoromethyl)-1H-pyridin-2-one (CID 14148750) is 3,5-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is IWSJDZMIJFAEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)5(15)14-2-3/h1-2H,(H,14,15).
What are the key properties of 3,5-bis(trifluoromethyl)-1H-pyridin-2-one?
3,5-bis(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 231.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 14148750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).