1-tert-butyl-5-fluoropyridin-2-one

C9H12FNO — CID 58320686

IUPAC1-tert-butyl-5-fluoropyridin-2-one
SMILESCC(C)(C)n1cc(F)ccc1=O
InChIInChI=1S/C9H12FNO/c1-9(2,3)11-6-7(10)4-5-8(11)12/h4-6H,1-3H3
InChIKeySFJLSUHWLOUDAQ-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.74
Rot. Bonds

About 1-tert-butyl-5-fluoropyridin-2-one

1-tert-butyl-5-fluoropyridin-2-one (PubChem CID 58320686) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-fluoropyridin-2-one
PubChem CID58320686
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-tert-butyl-5-fluoropyridin-2-one
SMILESCC(C)(C)n1cc(F)ccc1=O
InChIInChI=1S/C9H12FNO/c1-9(2,3)11-6-7(10)4-5-8(11)12/h4-6H,1-3H3
InChIKeySFJLSUHWLOUDAQ-UHFFFAOYSA-N
XLogP1.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(1H)-Pyridinone, 1-ethyl-
CID 139434
1-Propyl-2(1H)-pyridinone
CID 140460
2(1H)-Pyridinone, 1-isopropyl-
CID 549116
1-Allyl-2(1H)-pyridinone
CID 140872
1-Cyclopropyl-5-fluoropyridin-2-one
CID 134960128
5-Fluoro-1-methylpyridin-2(1H)-one
CID 12909037
1-Vinyl-6-methyl-2-pyridone
CID 14323034
1-(2-Methylpropyl)pyridin-2-one
CID 12013020
3-Fluoro-1-propan-2-ylpyridin-2-one
CID 57640396
5-Fluoro-1-propan-2-ylpyridin-2-one
CID 57640448
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
5-Fluoro-3-methyl-1-propan-2-ylpyridin-2-one
CID 57640641

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoropyridin-2-one?
The IUPAC name of 1-tert-butyl-5-fluoropyridin-2-one (CID 58320686) is 1-tert-butyl-5-fluoropyridin-2-one.
What is the SMILES notation for 1-tert-butyl-5-fluoropyridin-2-one?
The canonical SMILES for 1-tert-butyl-5-fluoropyridin-2-one is CC(C)(C)n1cc(F)ccc1=O.
What is the InChIKey of 1-tert-butyl-5-fluoropyridin-2-one?
The InChIKey is SFJLSUHWLOUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(2,3)11-6-7(10)4-5-8(11)12/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-5-fluoropyridin-2-one?
1-tert-butyl-5-fluoropyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoropyridin-2-one is sourced from PubChem (CID 58320686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).