3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one

C6H3F4NO — CID 121231575

IUPAC3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1N=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C6H3F4NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H
InChIKeyYMMFUYNWDQDFMY-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.42
Rot. Bonds

About 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one

3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one (PubChem CID 121231575) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one
PubChem CID121231575
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one
SMILESO=C1N=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C6H3F4NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H
InChIKeyYMMFUYNWDQDFMY-UHFFFAOYSA-N
XLogP1.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one (CID 121231575) is 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one is O=C1N=CC(C(F)(F)F)=CC1F.
What is the InChIKey of 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one?
The InChIKey is YMMFUYNWDQDFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2,4H.
What are the key properties of 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one?
3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one has a molecular weight of 181.09 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethyl)-3H-pyridin-2-one is sourced from PubChem (CID 121231575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).