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

C5HF6N3O2 — CID 19104346

IUPAC2,4-bis(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C5HF6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H
InChIKeyAMEARGTYXSBXGF-UHFFFAOYSA-N
MW249.07 g/mol
LogP1.67
Rot. Bonds2

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

2,4-bis(trifluoromethoxy)-1,3,5-triazine (PubChem CID 19104346) has the molecular formula C5HF6N3O2 and a molecular weight of 249.07 g/mol. Its IUPAC name is 2,4-bis(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(trifluoromethoxy)-1,3,5-triazine
PubChem CID19104346
Molecular FormulaC5HF6N3O2
Molecular Weight249.07 g/mol
Exact Mass249.00
IUPAC Name2,4-bis(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1ncnc(OC(F)(F)F)n1
InChIInChI=1S/C5HF6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H
InChIKeyAMEARGTYXSBXGF-UHFFFAOYSA-N
XLogP1.67
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
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-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2,4-Bis(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242028
2-(1,1,1,2,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242129
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2,4-Bis(difluoromethoxy)-1,3,5-triazine
CID 91351378
2,4-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 140260488

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(trifluoromethoxy)-1,3,5-triazine (CID 19104346) is 2,4-bis(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(trifluoromethoxy)-1,3,5-triazine is FC(F)(F)Oc1ncnc(OC(F)(F)F)n1.
What is the InChIKey of 2,4-bis(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is AMEARGTYXSBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF6N3O2/c6-4(7,8)15-2-12-1-13-3(14-2)16-5(9,10)11/h1H.
What are the key properties of 2,4-bis(trifluoromethoxy)-1,3,5-triazine?
2,4-bis(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 249.07 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).