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

C7H7ClF2N4O2 — CID 19777638

IUPAC4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H7ClF2N4O2/c1-2-3-15-5-12-4(11)13-6(14-5)16-7(8,9)10/h2H,1,3H2,(H2,11,12,13,14)
InChIKeyJSOJMEIIENTSFS-UHFFFAOYSA-N
MW252.61 g/mol
LogP1.19
Rot. Bonds5

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

4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 19777638) has the molecular formula C7H7ClF2N4O2 and a molecular weight of 252.61 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID19777638
Molecular FormulaC7H7ClF2N4O2
Molecular Weight252.61 g/mol
Exact Mass252.02
IUPAC Name4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H7ClF2N4O2/c1-2-3-15-5-12-4(11)13-6(14-5)16-7(8,9)10/h2H,1,3H2,(H2,11,12,13,14)
InChIKeyJSOJMEIIENTSFS-UHFFFAOYSA-N
XLogP1.19
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 2-(allyloxy)-4,6-diamino-
CID 22721
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Prop-2-enoxy-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777652
2-Prop-2-enoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58813229
2,4-Bis(2,2,3,3,4,4,4-heptafluorobutoxy)-6-prop-2-enoxy-1,3,5-triazine
CID 89380978
2-Chloro-4-fluoro-6-prop-2-enoxy-1,3,5-triazine
CID 141655647
4-Chloro-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 79006337
4-Methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868111
4-Prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80868457
4-Ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868461
4-[(E)-but-2-enoxy]-6-chloro-1,3,5-triazin-2-amine
CID 80872385
4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 100921240

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 19777638) is 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(N)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is JSOJMEIIENTSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N4O2/c1-2-3-15-5-12-4(11)13-6(14-5)16-7(8,9)10/h2H,1,3H2,(H2,11,12,13,14).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 252.61 g/mol, XLogP of 1.19, 5 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-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 19777638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).