6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

C11H16FNO2 — CID 178099296

IUPAC6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1c(F)ccc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO2/c1-8(2)9-4-5-10(12)13(11(9)14)6-7-15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyMVNMPDVOOIUCCQ-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.76
Rot. Bonds4

About 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (PubChem CID 178099296) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
PubChem CID178099296
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1c(F)ccc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO2/c1-8(2)9-4-5-10(12)13(11(9)14)6-7-15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyMVNMPDVOOIUCCQ-UHFFFAOYSA-N
XLogP1.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(1-fluoropropylidene)-5-methyl-1-morpholin-4-ylhepta-3,6-dien-1-one
CID 144144180
N,5-diethyl-2-(fluoromethyl)-N-(2-methoxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 144144338
6-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 146569437
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
Ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558740
1-(2-Methoxyethyl)-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 166833878
Ethane;1-(2-hydroxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 168880258
3-Butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
CID 178099196

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (CID 178099296) is 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is COCCn1c(F)ccc(C(C)C)c1=O.
What is the InChIKey of 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The InChIKey is MVNMPDVOOIUCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(2)9-4-5-10(12)13(11(9)14)6-7-15-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one has a molecular weight of 213.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).