1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one

C17H16FNO — CID 19887432

IUPAC1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1
InChIInChI=1S/C17H16FNO/c1-17(2)10-12-6-7-13(18)9-14(12)15(11-17)19-8-4-3-5-16(19)20/h3-9,11H,10H2,1-2H3
InChIKeyFLVOKQIBURBXLM-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.46
Rot. Bonds1

About 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one

1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one (PubChem CID 19887432) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one
PubChem CID19887432
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1
InChIInChI=1S/C17H16FNO/c1-17(2)10-12-6-7-13(18)9-14(12)15(11-17)19-8-4-3-5-16(19)20/h3-9,11H,10H2,1-2H3
InChIKeyFLVOKQIBURBXLM-UHFFFAOYSA-N
XLogP3.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one (CID 19887432) is 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2C1.
What is the InChIKey of 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one?
The InChIKey is FLVOKQIBURBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-17(2)10-12-6-7-13(18)9-14(12)15(11-17)19-8-4-3-5-16(19)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one?
1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one has a molecular weight of 269.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3,3-dimethyl-4H-naphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 19887432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).