1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride

C9H10ClF4N — CID 42917288

IUPAC1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride
SMILESCC[n+]1ccccc1C(F)C(F)(F)F.[Cl-]
InChIInChI=1S/C9H10F4N.ClH/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13;/h3-6,8H,2H2,1H3;1H/q+1;/p-1
InChIKeyUSXDEOYVGREJID-UHFFFAOYSA-M
MW243.63 g/mol
LogP-0.43
Rot. Bonds2

About 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride

1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride (PubChem CID 42917288) has the molecular formula C9H10ClF4N and a molecular weight of 243.63 g/mol. Its IUPAC name is 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride.

Molecular Properties

Compound Name1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride
PubChem CID42917288
Molecular FormulaC9H10ClF4N
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Name1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride
SMILESCC[n+]1ccccc1C(F)C(F)(F)F.[Cl-]
InChIInChI=1S/C9H10F4N.ClH/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13;/h3-6,8H,2H2,1H3;1H/q+1;/p-1
InChIKeyUSXDEOYVGREJID-UHFFFAOYSA-M
XLogP-0.43
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium
CID 2308707
1-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)pyridin-1-ium
CID 87371913
1-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyridin-1-ium
CID 87371946
dodecakis(1-ethyl-2-fluoropyridin-1-ium);tetraborate
CID 175130876
bis(trifluoromethylsulfonyl)azanide;1-ethyl-2-methylpyridin-1-ium
CID 121235098
(E)-2-(1-ethylpyridin-1-ium-2-yl)-N,N-dimethylethenamine iodide
CID 10852012
(E)-1-ethyl-N-(1-ethylpyridin-1-ium-2-yl)pyridin-2-imine
CID 5417857
3-ethyl-2-phenyl-1H-imidazol-3-ium
CID 15865415
N-ethyl-N-(1,1,2,3,3,3-hexafluoropropoxy)aniline
CID 141002088
bis(1-butyl-2-methylpyridin-1-ium) dichloride
CID 172861253
1-ethyl-2-[(E)-2-(1H-pyrrol-3-yl)ethenyl]pyridin-1-ium
CID 6140494
[2,5-dimethyl-5-(octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-amino-2-(1-ethylpyridin-1-ium-2-yl)acetate chloride
CID 70390426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride?
The IUPAC name of 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride (CID 42917288) is 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride.
What is the SMILES notation for 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride?
The canonical SMILES for 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride is CC[n+]1ccccc1C(F)C(F)(F)F.[Cl-].
What is the InChIKey of 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride?
The InChIKey is USXDEOYVGREJID-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10F4N.ClH/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13;/h3-6,8H,2H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride?
1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride has a molecular weight of 243.63 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride is sourced from PubChem (CID 42917288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).