ethane;3-(trifluoromethyl)-1H-pyridin-2-one

C10H16F3NO — CID 153336839

IUPACethane;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.CC.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.2C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;2*1-2/h1-3H,(H,10,11);2*1-2H3
InChIKeyVYVIUCKPKCVRCD-UHFFFAOYSA-N
MW223.24 g/mol
LogP3.45
Rot. Bonds

About ethane;3-(trifluoromethyl)-1H-pyridin-2-one

ethane;3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 153336839) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is ethane;3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID153336839
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Nameethane;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC.CC.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.2C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;2*1-2/h1-3H,(H,10,11);2*1-2H3
InChIKeyVYVIUCKPKCVRCD-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-3-methylpyridine
CID 70481
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 102291873
Methyl hydroxypyridine hydrochloride
CID 129761686
1-Methyl-3-trifluoromethyl-1H-pyridin-2-one
CID 53526064
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
2-oxo-N-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 68721257
N-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 69161392
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555

Frequently Asked Questions

What is the IUPAC name of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of ethane;3-(trifluoromethyl)-1H-pyridin-2-one (CID 153336839) is ethane;3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for ethane;3-(trifluoromethyl)-1H-pyridin-2-one is CC.CC.O=c1[nH]cccc1C(F)(F)F.
What is the InChIKey of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VYVIUCKPKCVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.2C2H6/c7-6(8,9)4-2-1-3-10-5(4)11;2*1-2/h1-3H,(H,10,11);2*1-2H3.
What are the key properties of ethane;3-(trifluoromethyl)-1H-pyridin-2-one?
ethane;3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 223.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 153336839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).