4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine

C11H8Cl3FN4O — CID 107576870

IUPAC4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C11H8Cl3FN4O/c1-2-20-11-18-9(14)17-10(19-11)16-5-3-6(12)8(15)7(13)4-5/h3-4H,2H2,1H3,(H,16,17,18,19)
InChIKeyCVLNKIQMCFVJMQ-UHFFFAOYSA-N
MW337.57 g/mol
LogP4.11
Rot. Bonds4

About 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 107576870) has the molecular formula C11H8Cl3FN4O and a molecular weight of 337.57 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID107576870
Molecular FormulaC11H8Cl3FN4O
Molecular Weight337.57 g/mol
Exact Mass335.97
IUPAC Name4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C11H8Cl3FN4O/c1-2-20-11-18-9(14)17-10(19-11)16-5-3-6(12)8(15)7(13)4-5/h3-4H,2H2,1H3,(H,16,17,18,19)
InChIKeyCVLNKIQMCFVJMQ-UHFFFAOYSA-N
XLogP4.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 107576870) is 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is CVLNKIQMCFVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3FN4O/c1-2-20-11-18-9(14)17-10(19-11)16-5-3-6(12)8(15)7(13)4-5/h3-4H,2H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 337.57 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107576870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).