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

C7H9ClF2N4O2 — CID 19777640

IUPAC4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H9ClF2N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyWVBDNVMCMMLNGO-UHFFFAOYSA-N
MW254.62 g/mol
LogP1.48
Rot. Bonds5

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

4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 19777640) has the molecular formula C7H9ClF2N4O2 and a molecular weight of 254.62 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID19777640
Molecular FormulaC7H9ClF2N4O2
Molecular Weight254.62 g/mol
Exact Mass254.04
IUPAC Name4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C7H9ClF2N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyWVBDNVMCMMLNGO-UHFFFAOYSA-N
XLogP1.48
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.62
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
6-[chloro(difluoro)methoxy]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010392
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
4-[Chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
CID 15010396
6-[chloro(difluoro)methoxy]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 19777637
4-[chloro(difluoro)methoxy]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 19777642

Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 19777640) is 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is WVBDNVMCMMLNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 254.62 g/mol, XLogP of 1.48, 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-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 19777640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).