1-decyl-2-fluoropyrimidin-1-ium bromide

C14H24BrFN2 — CID 70420702

IUPAC1-decyl-2-fluoropyrimidin-1-ium bromide
SMILESCCCCCCCCCC[n+]1cccnc1F.[Br-]
InChIInChI=1S/C14H24FN2.BrH/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;1H/q+1;/p-1
InChIKeyHDQAMQRRXNHQON-UHFFFAOYSA-M
MW319.26 g/mol
LogP0.65
Rot. Bonds9

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

1-decyl-2-fluoropyrimidin-1-ium bromide (PubChem CID 70420702) has the molecular formula C14H24BrFN2 and a molecular weight of 319.26 g/mol. Its IUPAC name is 1-decyl-2-fluoropyrimidin-1-ium bromide.

Molecular Properties

Compound Name1-decyl-2-fluoropyrimidin-1-ium bromide
PubChem CID70420702
Molecular FormulaC14H24BrFN2
Molecular Weight319.26 g/mol
Exact Mass318.11
IUPAC Name1-decyl-2-fluoropyrimidin-1-ium bromide
SMILESCCCCCCCCCC[n+]1cccnc1F.[Br-]
InChIInChI=1S/C14H24FN2.BrH/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;1H/q+1;/p-1
InChIKeyHDQAMQRRXNHQON-UHFFFAOYSA-M
XLogP0.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 50.65
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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Related Compounds

1-decyl-2-fluoropyrimidin-1-ium
CID 70420703
1-octadecyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 10254975
1-nonyl-2-pyridin-2-ylpyridin-1-ium bromide
CID 11726206
1-pentadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10003749
1-hexadecyl-2-pyridin-2-ylpyridin-1-ium
CID 10367049
1-hexadecylquinoxalin-1-ium bromide
CID 139756778
2,3-dimethyl-1-octylpyridin-1-ium bromide
CID 46210877
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-heptyl-2-pyridin-1-ium-1-ylpyridin-1-ium dichloride
CID 70005221
2-bromo-1-octadecylpyridin-1-ium
CID 159905409
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-fluoropyrimidin-1-ium bromide?
The IUPAC name of 1-decyl-2-fluoropyrimidin-1-ium bromide (CID 70420702) is 1-decyl-2-fluoropyrimidin-1-ium bromide.
What is the SMILES notation for 1-decyl-2-fluoropyrimidin-1-ium bromide?
The canonical SMILES for 1-decyl-2-fluoropyrimidin-1-ium bromide is CCCCCCCCCC[n+]1cccnc1F.[Br-].
What is the InChIKey of 1-decyl-2-fluoropyrimidin-1-ium bromide?
The InChIKey is HDQAMQRRXNHQON-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24FN2.BrH/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;1H/q+1;/p-1.
What are the key properties of 1-decyl-2-fluoropyrimidin-1-ium bromide?
1-decyl-2-fluoropyrimidin-1-ium bromide has a molecular weight of 319.26 g/mol, XLogP of 0.65, 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 bromide is sourced from PubChem (CID 70420702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).