2-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C5H4F3N3O — CID 54257945

IUPAC2-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1ncncn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)1-12-4-10-2-9-3-11-4/h2-3H,1H2
InChIKeyRBJVEKDKHDCTLL-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.81
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 54257945) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID54257945
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name2-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1ncncn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)1-12-4-10-2-9-3-11-4/h2-3H,1H2
InChIKeyRBJVEKDKHDCTLL-UHFFFAOYSA-N
XLogP0.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
6-Ethoxy-sym-triazine
CID 19751196
2,4-Diethoxy-1,3,5-triazine
CID 20062262
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
N,N-dimethyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 53816129
2-Fluoro-4-(2-methoxyethoxy)-1,3,5-triazine
CID 53852074
2-Methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 54318512
2-Ethoxy-4-fluoro-1,3,5-triazine
CID 54342791
2,4-Bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine
CID 57158576
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2,4-Bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242029

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 54257945) is 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1ncncn1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is RBJVEKDKHDCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)1-12-4-10-2-9-3-11-4/h2-3H,1H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 179.10 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 54257945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).