5-fluoro-3-propan-2-yl-1-propylpyridin-2-one

C11H16FNO — CID 178099392

IUPAC5-fluoro-3-propan-2-yl-1-propylpyridin-2-one
SMILESCCCn1cc(F)cc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO/c1-4-5-13-7-9(12)6-10(8(2)3)11(13)14/h6-8H,4-5H2,1-3H3
InChIKeyFEQVFZQZTSMPMV-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.52
Rot. Bonds3

About 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one

5-fluoro-3-propan-2-yl-1-propylpyridin-2-one (PubChem CID 178099392) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1-propylpyridin-2-one
PubChem CID178099392
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-3-propan-2-yl-1-propylpyridin-2-one
SMILESCCCn1cc(F)cc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO/c1-4-5-13-7-9(12)6-10(8(2)3)11(13)14/h6-8H,4-5H2,1-3H3
InChIKeyFEQVFZQZTSMPMV-UHFFFAOYSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
1-(2-Fluoroethyl)-5-methylpyridin-2-one
CID 84409535
1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
5-tert-butyl-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one
CID 89639556
5-Tert-butyl-1-(1-fluoroethyl)pyridin-2-one
CID 89639557
5-Tert-butyl-1-(3,3,3-trifluoro-2-methylpropyl)pyridin-2-one
CID 89639558
5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one
CID 89639559
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one?
The IUPAC name of 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one (CID 178099392) is 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one is CCCn1cc(F)cc(C(C)C)c1=O.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one?
The InChIKey is FEQVFZQZTSMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-4-5-13-7-9(12)6-10(8(2)3)11(13)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one?
5-fluoro-3-propan-2-yl-1-propylpyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-1-propylpyridin-2-one is sourced from PubChem (CID 178099392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).