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

C5H5ClF2N4O2 — CID 15010394

IUPAC4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H5ClF2N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12)
InChIKeyFOVAJDZREGXYSO-UHFFFAOYSA-N
MW226.57 g/mol
LogP0.63
Rot. Bonds3

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

4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 15010394) has the molecular formula C5H5ClF2N4O2 and a molecular weight of 226.57 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID15010394
Molecular FormulaC5H5ClF2N4O2
Molecular Weight226.57 g/mol
Exact Mass226.01
IUPAC Name4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H5ClF2N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12)
InChIKeyFOVAJDZREGXYSO-UHFFFAOYSA-N
XLogP0.63
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.57
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine (CID 15010394) is 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FOVAJDZREGXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N4O2/c1-13-3-10-2(9)11-4(12-3)14-5(6,7)8/h1H3,(H2,9,10,11,12).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 226.57 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 15010394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).