4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine

C11H17Cl2FN4 — CID 87319777

IUPAC4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine
SMILESCCCCCCCC(F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2FN4/c1-2-3-4-5-6-7-8(14)15-11-17-9(12)16-10(13)18-11/h8H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyMEAPJWRGBYCONM-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.25
Rot. Bonds8

About 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine (PubChem CID 87319777) has the molecular formula C11H17Cl2FN4 and a molecular weight of 295.19 g/mol. Its IUPAC name is 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine
PubChem CID87319777
Molecular FormulaC11H17Cl2FN4
Molecular Weight295.19 g/mol
Exact Mass294.08
IUPAC Name4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine
SMILESCCCCCCCC(F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2FN4/c1-2-3-4-5-6-7-8(14)15-11-17-9(12)16-10(13)18-11/h8H,2-7H2,1H3,(H,15,16,17,18)
InChIKeyMEAPJWRGBYCONM-UHFFFAOYSA-N
XLogP4.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
N-Octadecyl-1,3,5-triazine-2,4,6-triamine
CID 89073
2-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-4-N-methyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261578
2-N-[3-[9-(3-aminopropylamino)nonylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45261600
2-N-[3-[12-(3-aminopropylamino)dodecylamino]propyl]-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45265015
6-chloro-2-N-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727294
4-N,6-N-dimethyl-2-N-octadecyl-1,3,5-triazine-2,4,6-triamine
CID 10982393
2-N,4-N,6-N-triheptyl-1,3,5-triazine-2,4,6-triamine
CID 44370899
4,6-dichloro-N-dodecyl-1,3,5-triazin-2-amine
CID 33332
4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
CID 12937544
2-Aminohexylamino-4-ethylamino-6-isopropylamino-1,3,5-triazine
CID 132555

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine (CID 87319777) is 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine is CCCCCCCC(F)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine?
The InChIKey is MEAPJWRGBYCONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2FN4/c1-2-3-4-5-6-7-8(14)15-11-17-9(12)16-10(13)18-11/h8H,2-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine has a molecular weight of 295.19 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 87319777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).