2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

C8H7F6N3O2 — CID 143789986

IUPAC2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c1-4-15-5(18-2-7(9,10)11)17-6(16-4)19-3-8(12,13)14/h2-3H2,1H3
InChIKeyMZQBYCLTJUECIL-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 143789986) has the molecular formula C8H7F6N3O2 and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID143789986
Molecular FormulaC8H7F6N3O2
Molecular Weight291.15 g/mol
Exact Mass291.04
IUPAC Name2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H7F6N3O2/c1-4-15-5(18-2-7(9,10)11)17-6(16-4)19-3-8(12,13)14/h2-3H2,1H3
InChIKeyMZQBYCLTJUECIL-UHFFFAOYSA-N
XLogP2.06
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
2-Ethoxy-4,6-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-1,3,5-triazine
CID 550581
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
N,N,4-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 20652999
2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269
2-Methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 20713448
4-(2,2-difluoroethoxy)-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 20713449
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
2-Methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 151285751
2,4-Dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 162560897
2-(1,1,2,3,3,3-Hexafluoropropyl)-4,6-dimethoxy-1,3,5-triazine
CID 163821200
Azane;2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 143789986) is 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is Cc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is MZQBYCLTJUECIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O2/c1-4-15-5(18-2-7(9,10)11)17-6(16-4)19-3-8(12,13)14/h2-3H2,1H3.
What are the key properties of 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 291.15 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 143789986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).