1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium

C9H10F4N+ — CID 2308707

IUPAC1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium
SMILESCC[n+]1ccccc1[C@H](F)C(F)(F)F
InChIInChI=1S/C9H10F4N/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13/h3-6,8H,2H2,1H3/q+1/t8-/m0/s1
InChIKeyVSVMHXFMQBOQEC-QMMMGPOBSA-N
MW208.18 g/mol
LogP2.57
Rot. Bonds2

About 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium

1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium (PubChem CID 2308707) has the molecular formula C9H10F4N+ and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium
PubChem CID2308707
Molecular FormulaC9H10F4N+
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium
SMILESCC[n+]1ccccc1[C@H](F)C(F)(F)F
InChIInChI=1S/C9H10F4N/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13/h3-6,8H,2H2,1H3/q+1/t8-/m0/s1
InChIKeyVSVMHXFMQBOQEC-QMMMGPOBSA-N
XLogP2.57
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.57
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-(1,2,2,2-tetrafluoroethyl)pyridin-1-ium chloride
CID 42917288
1-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyridin-1-ium
CID 87371946
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
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
1-ethyl-2-[(E)-2-(1H-pyrrol-3-yl)ethenyl]pyridin-1-ium
CID 6140494
2-methyl-1-propylpyridin-1-ium
CID 3808515
1-ethyl-7-fluoroquinolin-1-ium
CID 44723590

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium?
The IUPAC name of 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium (CID 2308707) is 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium.
What is the SMILES notation for 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium?
The canonical SMILES for 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium is CC[n+]1ccccc1[C@H](F)C(F)(F)F.
What is the InChIKey of 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium?
The InChIKey is VSVMHXFMQBOQEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F4N/c1-2-14-6-4-3-5-7(14)8(10)9(11,12)13/h3-6,8H,2H2,1H3/q+1/t8-/m0/s1.
What are the key properties of 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium?
1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium has a molecular weight of 208.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1S)-1,2,2,2-tetrafluoroethyl]pyridin-1-ium is sourced from PubChem (CID 2308707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).