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

C5H3Cl3F2N4 — CID 18472018

IUPAC4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H3Cl3F2N4/c6-5(7,8)3-12-2(1(9)10)13-4(11)14-3/h1H,(H2,11,12,13,14)
InChIKeyCARMFUBRRJQCFW-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.22
Rot. Bonds1

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

4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine (PubChem CID 18472018) has the molecular formula C5H3Cl3F2N4 and a molecular weight of 263.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
PubChem CID18472018
Molecular FormulaC5H3Cl3F2N4
Molecular Weight263.46 g/mol
Exact Mass261.94
IUPAC Name4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C(F)F)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5H3Cl3F2N4/c6-5(7,8)3-12-2(1(9)10)13-4(11)14-3/h1H,(H2,11,12,13,14)
InChIKeyCARMFUBRRJQCFW-UHFFFAOYSA-N
XLogP2.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine (CID 18472018) is 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine is Nc1nc(C(F)F)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
The InChIKey is CARMFUBRRJQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3F2N4/c6-5(7,8)3-12-2(1(9)10)13-4(11)14-3/h1H,(H2,11,12,13,14).
What are the key properties of 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine?
4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine has a molecular weight of 263.46 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 18472018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).