2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine

C5H4F3N3O2 — CID 19777656

IUPAC2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine
SMILESCOc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O2/c1-12-3-9-2-10-4(11-3)13-5(6,7)8/h2H,1H3
InChIKeyNCYRPKNJJWMHDZ-UHFFFAOYSA-N
MW195.10 g/mol
LogP0.78
Rot. Bonds2

About 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine

2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine (PubChem CID 19777656) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine
PubChem CID19777656
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine
SMILESCOc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O2/c1-12-3-9-2-10-4(11-3)13-5(6,7)8/h2H,1H3
InChIKeyNCYRPKNJJWMHDZ-UHFFFAOYSA-N
XLogP0.78
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethoxy-1,3,5-triazine
CID 243963
2-Methoxy-1,3,5-triazine
CID 28657
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-methoxy-1,3,5-triazine
CID 17959652
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2,4-Bis(trifluoromethoxy)-1,3,5-triazine
CID 19104346
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-(2,2,2-Trifluoroethoxy)-1,3,5-triazine
CID 54257945
2-Methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 54318512
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 56981742

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine (CID 19777656) is 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine is COc1ncnc(OC(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is NCYRPKNJJWMHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c1-12-3-9-2-10-4(11-3)13-5(6,7)8/h2H,1H3.
What are the key properties of 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine?
2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 195.10 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19777656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).