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

C5H2Cl3F3N4 — CID 11011446

IUPAC4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl3F3N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15)
InChIKeyRBXJTNOOCVFNFN-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.30
Rot. Bonds

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

4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 11011446) has the molecular formula C5H2Cl3F3N4 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID11011446
Molecular FormulaC5H2Cl3F3N4
Molecular Weight281.45 g/mol
Exact Mass279.93
IUPAC Name4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H2Cl3F3N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15)
InChIKeyRBXJTNOOCVFNFN-UHFFFAOYSA-N
XLogP2.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.30
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-Triazine-2,4-diamine, 6-(trichloromethyl)-
CID 27676
2-Amino-4-tribromomethyl-6-trichloromethyl-1,3,5-triazine
CID 76334233
1,3,5-Triazin-2-amine, 4,6-bis(trichloromethyl)-
CID 30126
2-Methyl-4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 15857806
2,4,6-Tris(chlorodifluoromethyl)-1,3,5-triazine
CID 2778033
4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244964
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493
2,4-Bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 19006224
2,4-Dichloro-6-(trifluoromethyl)-1,3,5-triazine
CID 129978920
2-trifluoromethyl-4-(N-dichloroamino)-6-amino-s-triazine
CID 129791092
1,3,5-Triazin-2-amine, N-methyl-4-(trichloromethyl)-6-(trifluoromethyl)-
CID 15008937
4-(Difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 18472018

Frequently Asked Questions

What is the IUPAC name of 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 11011446) is 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(C(F)(F)F)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is RBXJTNOOCVFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3F3N4/c6-4(7,8)1-13-2(5(9,10)11)15-3(12)14-1/h(H2,12,13,14,15).
What are the key properties of 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 281.45 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11011446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).