1-decyl-2-fluoropyrimidin-1-ium

C14H24FN2+ — CID 70420703

IUPAC1-decyl-2-fluoropyrimidin-1-ium
SMILESCCCCCCCCCC[n+]1cccnc1F
InChIInChI=1S/C14H24FN2/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16-14(17)15/h10-11,13H,2-9,12H2,1H3/q+1
InChIKeyNFDWGFOEWVOFSE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.65
Rot. Bonds9

About 1-decyl-2-fluoropyrimidin-1-ium

1-decyl-2-fluoropyrimidin-1-ium (PubChem CID 70420703) has the molecular formula C14H24FN2+ and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-decyl-2-fluoropyrimidin-1-ium.

Molecular Properties

Compound Name1-decyl-2-fluoropyrimidin-1-ium
PubChem CID70420703
Molecular FormulaC14H24FN2+
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-decyl-2-fluoropyrimidin-1-ium
SMILESCCCCCCCCCC[n+]1cccnc1F
InChIInChI=1S/C14H24FN2/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16-14(17)15/h10-11,13H,2-9,12H2,1H3/q+1
InChIKeyNFDWGFOEWVOFSE-UHFFFAOYSA-N
XLogP3.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-fluoropyrimidin-1-ium?
The IUPAC name of 1-decyl-2-fluoropyrimidin-1-ium (CID 70420703) is 1-decyl-2-fluoropyrimidin-1-ium.
What is the SMILES notation for 1-decyl-2-fluoropyrimidin-1-ium?
The canonical SMILES for 1-decyl-2-fluoropyrimidin-1-ium is CCCCCCCCCC[n+]1cccnc1F.
What is the InChIKey of 1-decyl-2-fluoropyrimidin-1-ium?
The InChIKey is NFDWGFOEWVOFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN2/c1-2-3-4-5-6-7-8-9-12-17-13-10-11-16-14(17)15/h10-11,13H,2-9,12H2,1H3/q+1.
What are the key properties of 1-decyl-2-fluoropyrimidin-1-ium?
1-decyl-2-fluoropyrimidin-1-ium has a molecular weight of 239.36 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-fluoropyrimidin-1-ium is sourced from PubChem (CID 70420703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).