4,6-bis(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO — CID 13148079

IUPAC4,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)14-5(15)2-3/h1-2H,(H,14,15)
InChIKeyVSFCIOZUOKVYSN-UHFFFAOYSA-N
MW231.10 g/mol
LogP2.41
Rot. Bonds

About 4,6-bis(trifluoromethyl)-1H-pyridin-2-one

4,6-bis(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 13148079) has the molecular formula C7H3F6NO and a molecular weight of 231.10 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-1H-pyridin-2-one
PubChem CID13148079
Molecular FormulaC7H3F6NO
Molecular Weight231.10 g/mol
Exact Mass231.01
IUPAC Name4,6-bis(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)14-5(15)2-3/h1-2H,(H,14,15)
InChIKeyVSFCIOZUOKVYSN-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 4,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-bis(trifluoromethyl)-1H-pyridin-2-one (CID 13148079) is 4,6-bis(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-bis(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4,6-bis(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VSFCIOZUOKVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO/c8-6(9,10)3-1-4(7(11,12)13)14-5(15)2-3/h1-2H,(H,14,15).
What are the key properties of 4,6-bis(trifluoromethyl)-1H-pyridin-2-one?
4,6-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 4,6-bis(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 13148079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).