6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one

C9H6F7NO — CID 10062037

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one
SMILESCC1=CC(=O)NC(=C1)C(C(C(F)(F)F)(F)F)(F)F
InChIInChI=1S/C9H6F7NO/c1-4-2-5(17-6(18)3-4)7(10,11)8(12,13)9(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyGIVUJLLMPPEIOW-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.40
Rot. Bonds2

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one

6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one (PubChem CID 10062037) has the molecular formula C9H6F7NO and a molecular weight of 277.14 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one
PubChem CID10062037
Molecular FormulaC9H6F7NO
Molecular Weight277.14 g/mol
Exact Mass277.03
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one
SMILESCC1=CC(=O)NC(=C1)C(C(C(F)(F)F)(F)F)(F)F
InChIInChI=1S/C9H6F7NO/c1-4-2-5(17-6(18)3-4)7(10,11)8(12,13)9(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyGIVUJLLMPPEIOW-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity433

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-isoquinolin-3-one
CID 14114910
3-Methyl-6-propyl-1h-pyridin-2-one
CID 12354332
4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-6-methyl-1H-pyridin-2-one
CID 10935260
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one (CID 10062037) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one is CC1=CC(=O)NC(=C1)C(C(C(F)(F)F)(F)F)(F)F.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one?
The InChIKey is GIVUJLLMPPEIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO/c1-4-2-5(17-6(18)3-4)7(10,11)8(12,13)9(14,15)16/h2-3H,1H3,(H,17,18).
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one has a molecular weight of 277.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10062037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).