N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine

C10H4BrCl2F3N4O — CID 103193533

IUPACN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H4BrCl2F3N4O/c11-4-1-2-5(6(3-4)21-10(14,15)16)17-9-19-7(12)18-8(13)20-9/h1-3H,(H,17,18,19,20)
InChIKeyKCUMLMKBSBWFEL-UHFFFAOYSA-N
MW403.97 g/mol
LogP4.58
Rot. Bonds3

About N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine

N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 103193533) has the molecular formula C10H4BrCl2F3N4O and a molecular weight of 403.97 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID103193533
Molecular FormulaC10H4BrCl2F3N4O
Molecular Weight403.97 g/mol
Exact Mass401.89
IUPAC NameN-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFC(F)(F)Oc1cc(Br)ccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H4BrCl2F3N4O/c11-4-1-2-5(6(3-4)21-10(14,15)16)17-9-19-7(12)18-8(13)20-9/h1-3H,(H,17,18,19,20)
InChIKeyKCUMLMKBSBWFEL-UHFFFAOYSA-N
XLogP4.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.97
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193595
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 103193106
3-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 103193591
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 103193728
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyridine-2,3-diamine
CID 103192737
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 103193720
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethyl-4-methylimidazol-2-amine
CID 106583303
2-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192731
1-N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 103192723

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine (CID 103193533) is N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine is FC(F)(F)Oc1cc(Br)ccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is KCUMLMKBSBWFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2F3N4O/c11-4-1-2-5(6(3-4)21-10(14,15)16)17-9-19-7(12)18-8(13)20-9/h1-3H,(H,17,18,19,20).
What are the key properties of N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine?
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 403.97 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethoxy)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 103193533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).