N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C6H4Cl3F3N4 — CID 15008937

IUPACN-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H4Cl3F3N4/c1-13-4-15-2(5(7,8)9)14-3(16-4)6(10,11)12/h1H3,(H,13,14,15,16)
InChIKeyJOTXZSLRBUKYMT-UHFFFAOYSA-N
MW295.48 g/mol
LogP2.76
Rot. Bonds1

About N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 15008937) has the molecular formula C6H4Cl3F3N4 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID15008937
Molecular FormulaC6H4Cl3F3N4
Molecular Weight295.48 g/mol
Exact Mass293.95
IUPAC NameN-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H4Cl3F3N4/c1-13-4-15-2(5(7,8)9)14-3(16-4)6(10,11)12/h1H3,(H,13,14,15,16)
InChIKeyJOTXZSLRBUKYMT-UHFFFAOYSA-N
XLogP2.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, N-methyl-4,6-bis(trichloromethyl)-
CID 32673
s-Triazine, 2-methyl-4-(methylamino)-6-(trichloromethyl)-
CID 32684
1,3,5-Triazin-2-amine, N-ethyl-4,6-bis(trichloromethyl)-
CID 32657
N-ethyl-4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 32660
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
4-(Trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 11011446
2-N-methyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 3668328
4-(Difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 18472018
4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006222
4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 138469315
N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylmethanediamine
CID 134989198
N-methyl-4,6-bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34494

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 15008937) is N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CNc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is JOTXZSLRBUKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3F3N4/c1-13-4-15-2(5(7,8)9)14-3(16-4)6(10,11)12/h1H3,(H,13,14,15,16).
What are the key properties of N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 295.48 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15008937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).