1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one

C16H18FNO — CID 176700827

IUPAC1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2ccccc2=O)cc1F
InChIInChI=1S/C16H18FNO/c1-16(2,3)13-8-7-12(10-14(13)17)11-18-9-5-4-6-15(18)19/h4-10H,11H2,1-3H3
InChIKeyRHFKXRFEJSSOFA-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.33
Rot. Bonds2

About 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one

1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 176700827) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one
PubChem CID176700827
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2ccccc2=O)cc1F
InChIInChI=1S/C16H18FNO/c1-16(2,3)13-8-7-12(10-14(13)17)11-18-9-5-4-6-15(18)19/h4-10H,11H2,1-3H3
InChIKeyRHFKXRFEJSSOFA-UHFFFAOYSA-N
XLogP3.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one (CID 176700827) is 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one is CC(C)(C)c1ccc(Cn2ccccc2=O)cc1F.
What is the InChIKey of 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is RHFKXRFEJSSOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-16(2,3)13-8-7-12(10-14(13)17)11-18-9-5-4-6-15(18)19/h4-10H,11H2,1-3H3.
What are the key properties of 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one?
1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 259.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 176700827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).