1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium

C7H5F4NO2 — CID 102057541

IUPAC1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium
SMILES[O-][n+]1cccc(OC(F)C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO2/c8-6(7(9,10)11)14-5-2-1-3-12(13)4-5/h1-4,6H
InChIKeyHAUUBJDOKBKWDU-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.56
Rot. Bonds2

About 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium

1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium (PubChem CID 102057541) has the molecular formula C7H5F4NO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium.

Molecular Properties

Compound Name1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium
PubChem CID102057541
Molecular FormulaC7H5F4NO2
Molecular Weight211.11 g/mol
Exact Mass211.03
IUPAC Name1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium
SMILES[O-][n+]1cccc(OC(F)C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO2/c8-6(7(9,10)11)14-5-2-1-3-12(13)4-5/h1-4,6H
InChIKeyHAUUBJDOKBKWDU-UHFFFAOYSA-N
XLogP1.56
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine
CID 174527116
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
1-oxido-3-prop-2-enoxypyridin-1-ium
CID 11701064
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
1-oxido-3-[1,2,2-tris(1-oxidopyridin-1-ium-3-yl)ethenyl]pyridin-1-ium
CID 177451297
1-oxidopyridin-1-ium-3-amine;hydrochloride
CID 86676284
3-(1,2,2,2-tetrafluoroethoxy)benzene-1,2-diamine
CID 70379476
CID 58450214
CID 58450214
3-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 175221453
1-oxidopyridin-1-ium-3-sulfonamide
CID 12684277
(2R)-2-amino-3-(1-oxidopyridin-1-ium-3-yl)propanal
CID 87362902
4-tert-butyl-1-oxido-3-phenoxypyridin-1-ium
CID 14044066

Frequently Asked Questions

What is the IUPAC name of 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium?
The IUPAC name of 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium (CID 102057541) is 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium.
What is the SMILES notation for 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium?
The canonical SMILES for 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium is [O-][n+]1cccc(OC(F)C(F)(F)F)c1.
What is the InChIKey of 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium?
The InChIKey is HAUUBJDOKBKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO2/c8-6(7(9,10)11)14-5-2-1-3-12(13)4-5/h1-4,6H.
What are the key properties of 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium?
1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium has a molecular weight of 211.11 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium is sourced from PubChem (CID 102057541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).