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

C5H3F4N3O2 — CID 91351378

IUPAC2,4-bis(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1ncnc(OC(F)F)n1
InChIInChI=1S/C5H3F4N3O2/c6-2(7)13-4-10-1-11-5(12-4)14-3(8)9/h1-3H
InChIKeyAXUGHTFHHATVFA-UHFFFAOYSA-N
MW213.09 g/mol
LogP1.07
Rot. Bonds4

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

2,4-bis(difluoromethoxy)-1,3,5-triazine (PubChem CID 91351378) has the molecular formula C5H3F4N3O2 and a molecular weight of 213.09 g/mol. Its IUPAC name is 2,4-bis(difluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(difluoromethoxy)-1,3,5-triazine
PubChem CID91351378
Molecular FormulaC5H3F4N3O2
Molecular Weight213.09 g/mol
Exact Mass213.02
IUPAC Name2,4-bis(difluoromethoxy)-1,3,5-triazine
SMILESFC(F)Oc1ncnc(OC(F)F)n1
InChIInChI=1S/C5H3F4N3O2/c6-2(7)13-4-10-1-11-5(12-4)14-3(8)9/h1-3H
InChIKeyAXUGHTFHHATVFA-UHFFFAOYSA-N
XLogP1.07
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 51.07
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-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-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2,4-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 140260488
4-(Trifluoromethoxy)-1,3,5-triazin-2-amine
CID 142632733

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(difluoromethoxy)-1,3,5-triazine (CID 91351378) is 2,4-bis(difluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(difluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(difluoromethoxy)-1,3,5-triazine is FC(F)Oc1ncnc(OC(F)F)n1.
What is the InChIKey of 2,4-bis(difluoromethoxy)-1,3,5-triazine?
The InChIKey is AXUGHTFHHATVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N3O2/c6-2(7)13-4-10-1-11-5(12-4)14-3(8)9/h1-3H.
What are the key properties of 2,4-bis(difluoromethoxy)-1,3,5-triazine?
2,4-bis(difluoromethoxy)-1,3,5-triazine has a molecular weight of 213.09 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 91351378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).