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

C5H2Cl2F4N4O2 — CID 57243326

IUPAC4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H2Cl2F4N4O2/c6-4(8,9)16-2-13-1(12)14-3(15-2)17-5(7,10)11/h(H2,12,13,14,15)
InChIKeyHQCOVLVQNUNJSN-UHFFFAOYSA-N
MW297.00 g/mol
LogP1.79
Rot. Bonds4

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

4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine (PubChem CID 57243326) has the molecular formula C5H2Cl2F4N4O2 and a molecular weight of 297.00 g/mol. Its IUPAC name is 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
PubChem CID57243326
Molecular FormulaC5H2Cl2F4N4O2
Molecular Weight297.00 g/mol
Exact Mass295.95
IUPAC Name4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C5H2Cl2F4N4O2/c6-4(8,9)16-2-13-1(12)14-3(15-2)17-5(7,10)11/h(H2,12,13,14,15)
InChIKeyHQCOVLVQNUNJSN-UHFFFAOYSA-N
XLogP1.79
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.00
LogP ≤ 51.79
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

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
4-[Chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
CID 11009320
2-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4-Chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 19006213
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
2-Chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 19104356
2,4-Dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104361
2-Chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
CID 57134375

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine (CID 57243326) is 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine is Nc1nc(OC(F)(F)Cl)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The InChIKey is HQCOVLVQNUNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F4N4O2/c6-4(8,9)16-2-13-1(12)14-3(15-2)17-5(7,10)11/h(H2,12,13,14,15).
What are the key properties of 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine has a molecular weight of 297.00 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 57243326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).