ethane;1-ethyl-2,4-difluoropyridin-1-ium

C9H14F2N+ — CID 169211117

IUPACethane;1-ethyl-2,4-difluoropyridin-1-ium
SMILESCC.CC[n+]1ccc(F)cc1F
InChIInChI=1S/C7H8F2N.C2H6/c1-2-10-4-3-6(8)5-7(10)9;1-2/h3-5H,2H2,1H3;1-2H3/q+1;
InChIKeyCJLCSXSAXGMXHX-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.30
Rot. Bonds1

About ethane;1-ethyl-2,4-difluoropyridin-1-ium

ethane;1-ethyl-2,4-difluoropyridin-1-ium (PubChem CID 169211117) has the molecular formula C9H14F2N+ and a molecular weight of 174.21 g/mol. Its IUPAC name is ethane;1-ethyl-2,4-difluoropyridin-1-ium.

Molecular Properties

Compound Nameethane;1-ethyl-2,4-difluoropyridin-1-ium
PubChem CID169211117
Molecular FormulaC9H14F2N+
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Nameethane;1-ethyl-2,4-difluoropyridin-1-ium
SMILESCC.CC[n+]1ccc(F)cc1F
InChIInChI=1S/C7H8F2N.C2H6/c1-2-10-4-3-6(8)5-7(10)9;1-2/h3-5H,2H2,1H3;1-2H3/q+1;
InChIKeyCJLCSXSAXGMXHX-UHFFFAOYSA-N
XLogP2.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2,4-difluoropyridin-1-ium?
The IUPAC name of ethane;1-ethyl-2,4-difluoropyridin-1-ium (CID 169211117) is ethane;1-ethyl-2,4-difluoropyridin-1-ium.
What is the SMILES notation for ethane;1-ethyl-2,4-difluoropyridin-1-ium?
The canonical SMILES for ethane;1-ethyl-2,4-difluoropyridin-1-ium is CC.CC[n+]1ccc(F)cc1F.
What is the InChIKey of ethane;1-ethyl-2,4-difluoropyridin-1-ium?
The InChIKey is CJLCSXSAXGMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N.C2H6/c1-2-10-4-3-6(8)5-7(10)9;1-2/h3-5H,2H2,1H3;1-2H3/q+1;.
What are the key properties of ethane;1-ethyl-2,4-difluoropyridin-1-ium?
ethane;1-ethyl-2,4-difluoropyridin-1-ium has a molecular weight of 174.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2,4-difluoropyridin-1-ium is sourced from PubChem (CID 169211117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).