2-heptyl-1,3,5-triazine;hydrofluoride

C10H18FN3 — CID 174939388

IUPAC2-heptyl-1,3,5-triazine;hydrofluoride
SMILESCCCCCCCc1ncncn1.F
InChIInChI=1S/C10H17N3.FH/c1-2-3-4-5-6-7-10-12-8-11-9-13-10;/h8-9H,2-7H2,1H3;1H
InChIKeyIJGAKUITAKPKKH-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.54
Rot. Bonds6

About 2-heptyl-1,3,5-triazine;hydrofluoride

2-heptyl-1,3,5-triazine;hydrofluoride (PubChem CID 174939388) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-heptyl-1,3,5-triazine;hydrofluoride.

Molecular Properties

Compound Name2-heptyl-1,3,5-triazine;hydrofluoride
PubChem CID174939388
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name2-heptyl-1,3,5-triazine;hydrofluoride
SMILESCCCCCCCc1ncncn1.F
InChIInChI=1S/C10H17N3.FH/c1-2-3-4-5-6-7-10-12-8-11-9-13-10;/h8-9H,2-7H2,1H3;1H
InChIKeyIJGAKUITAKPKKH-UHFFFAOYSA-N
XLogP2.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-nonylpyrimidine
CID 23297050
2-hexyl-1,3,5-diazaphosphinine
CID 174848227
2-dodecylpyrimidine;methane
CID 174491203
N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine
CID 142666552
5-bromo-2-hexylpyrimidine
CID 122446219
8-(1,3,5-triazin-2-yl)octanenitrile
CID 121433898
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
trioctyl(1,3,5-triazin-2-yl)-λ4-sulfane
CID 174797615
4,6-dihexadecylpyrimidine
CID 91309058

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1,3,5-triazine;hydrofluoride?
The IUPAC name of 2-heptyl-1,3,5-triazine;hydrofluoride (CID 174939388) is 2-heptyl-1,3,5-triazine;hydrofluoride.
What is the SMILES notation for 2-heptyl-1,3,5-triazine;hydrofluoride?
The canonical SMILES for 2-heptyl-1,3,5-triazine;hydrofluoride is CCCCCCCc1ncncn1.F.
What is the InChIKey of 2-heptyl-1,3,5-triazine;hydrofluoride?
The InChIKey is IJGAKUITAKPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.FH/c1-2-3-4-5-6-7-10-12-8-11-9-13-10;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 2-heptyl-1,3,5-triazine;hydrofluoride?
2-heptyl-1,3,5-triazine;hydrofluoride has a molecular weight of 199.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1,3,5-triazine;hydrofluoride is sourced from PubChem (CID 174939388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).