4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C5H2ClF5N4O — CID 19006226

IUPAC4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C5H2ClF5N4O/c6-5(10,11)16-3-14-1(4(7,8)9)13-2(12)15-3/h(H2,12,13,14,15)
InChIKeyBUHANTKXUNKELL-UHFFFAOYSA-N
MW264.54 g/mol
LogP1.64
Rot. Bonds2

About 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19006226) has the molecular formula C5H2ClF5N4O and a molecular weight of 264.54 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19006226
Molecular FormulaC5H2ClF5N4O
Molecular Weight264.54 g/mol
Exact Mass263.98
IUPAC Name4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C5H2ClF5N4O/c6-5(10,11)16-3-14-1(4(7,8)9)13-2(12)15-3/h(H2,12,13,14,15)
InChIKeyBUHANTKXUNKELL-UHFFFAOYSA-N
XLogP1.64
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19006226) is 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is BUHANTKXUNKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF5N4O/c6-5(10,11)16-3-14-1(4(7,8)9)13-2(12)15-3/h(H2,12,13,14,15).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 264.54 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).