1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone

C9H11FNO2+ — CID 139778032

IUPAC1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone
SMILESCCO[n+]1ccccc1C(=O)CF
InChIInChI=1S/C9H11FNO2/c1-2-13-11-6-4-3-5-8(11)9(12)7-10/h3-6H,2,7H2,1H3/q+1
InChIKeyPVCVMEZZFRSTHY-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.57
Rot. Bonds4

About 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone

1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone (PubChem CID 139778032) has the molecular formula C9H11FNO2+ and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone
PubChem CID139778032
Molecular FormulaC9H11FNO2+
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone
SMILESCCO[n+]1ccccc1C(=O)CF
InChIInChI=1S/C9H11FNO2/c1-2-13-11-6-4-3-5-8(11)9(12)7-10/h3-6H,2,7H2,1H3/q+1
InChIKeyPVCVMEZZFRSTHY-UHFFFAOYSA-N
XLogP0.57
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxypyridin-1-ium-2-yl)-2,2-dimethylpropan-1-one
CID 139777999
(2,4,6-trimethylphenyl) 1-ethoxypyridin-1-ium-2-carboxylate
CID 139778107
(2,3-dimethylphenyl) 1-ethoxypyridin-1-ium-2-carboxylate
CID 139777906
phenanthren-9-yl 1-ethoxypyridin-1-ium-2-carboxylate
CID 139778056
2-ethenyl-1-ethoxypyridin-1-ium
CID 59705421
2-butoxy-1-ethoxypyridin-1-ium
CID 139777925
(2-carbamoylpyridin-1-ium-1-yl) carbamate
CID 67575892
dioxido(4,4,4-triphenylbutoxy)borane;bis((4-phenylphenyl) 1-ethoxypyridin-1-ium-2-carboxylate)
CID 139778006
1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium
CID 139778278
ethyl 2-(1-oxidopyridin-1-ium-2-yl)propanoate
CID 67356913
1-ethoxy-2-[4-(trifluoromethyl)phenyl]pyridin-1-ium tetrafluoroborate
CID 162406573
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone?
The IUPAC name of 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone (CID 139778032) is 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone?
The canonical SMILES for 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone is CCO[n+]1ccccc1C(=O)CF.
What is the InChIKey of 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone?
The InChIKey is PVCVMEZZFRSTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FNO2/c1-2-13-11-6-4-3-5-8(11)9(12)7-10/h3-6H,2,7H2,1H3/q+1.
What are the key properties of 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone?
1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone has a molecular weight of 184.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone is sourced from PubChem (CID 139778032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).