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

C6H7ClF2N4O2 — CID 15010396

IUPAC4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyFPQKTTJAJCTXNT-UHFFFAOYSA-N
MW240.60 g/mol
LogP1.02
Rot. Bonds4

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

4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 15010396) has the molecular formula C6H7ClF2N4O2 and a molecular weight of 240.60 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID15010396
Molecular FormulaC6H7ClF2N4O2
Molecular Weight240.60 g/mol
Exact Mass240.02
IUPAC Name4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C6H7ClF2N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13)
InChIKeyFPQKTTJAJCTXNT-UHFFFAOYSA-N
XLogP1.02
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 51.02
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-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine (CID 15010396) is 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is FPQKTTJAJCTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4O2/c1-2-14-4-11-3(10)12-5(13-4)15-6(7,8)9/h2H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 240.60 g/mol, XLogP of 1.02, 4 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-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 15010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).