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

C9H4Cl3FN4 — CID 62870784

IUPAC4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Cl
InChIInChI=1S/C9H4Cl3FN4/c10-5-2-1-4(3-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17)
InChIKeyKCWHLGDGNRPZGA-UHFFFAOYSA-N
MW293.52 g/mol
LogP3.71
Rot. Bonds2

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

4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 62870784) has the molecular formula C9H4Cl3FN4 and a molecular weight of 293.52 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID62870784
Molecular FormulaC9H4Cl3FN4
Molecular Weight293.52 g/mol
Exact Mass291.95
IUPAC Name4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Cl
InChIInChI=1S/C9H4Cl3FN4/c10-5-2-1-4(3-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17)
InChIKeyKCWHLGDGNRPZGA-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-chloro-3-fluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62862884
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
6-N-(4-chloro-3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947792
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522
4-chloro-N-(3-chloro-4-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62870705

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine (CID 62870784) is 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine is Fc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Cl.
What is the InChIKey of 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is KCWHLGDGNRPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN4/c10-5-2-1-4(3-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 293.52 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).