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

C5HF6N3 — CID 91614506

IUPAC2,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1ncnc(C(F)(F)F)n1
InChIInChI=1S/C5HF6N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H
InChIKeyAIQLUHQAIICRTI-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.91
Rot. Bonds

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

2,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 91614506) has the molecular formula C5HF6N3 and a molecular weight of 217.07 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID91614506
Molecular FormulaC5HF6N3
Molecular Weight217.07 g/mol
Exact Mass217.01
IUPAC Name2,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1ncnc(C(F)(F)F)n1
InChIInChI=1S/C5HF6N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H
InChIKeyAIQLUHQAIICRTI-UHFFFAOYSA-N
XLogP1.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(trifluoromethyl)pyrimidine
CID 53302344
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
CID 71721371
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 154364896
4-chloro-6-fluoro-5-(trifluoromethyl)pyrimidine
CID 118799997
3,6-bis(trifluoromethyl)-1,2,4-triazine
CID 170294965
2-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidin-6-ium
CID 162552844
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-(azetidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 135231331
N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 118391837
2-tert-butyl-4-methyl-1,3,5-triazine
CID 20687906

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(trifluoromethyl)-1,3,5-triazine (CID 91614506) is 2,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(trifluoromethyl)-1,3,5-triazine is FC(F)(F)c1ncnc(C(F)(F)F)n1.
What is the InChIKey of 2,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is AIQLUHQAIICRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF6N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H.
What are the key properties of 2,4-bis(trifluoromethyl)-1,3,5-triazine?
2,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 217.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 91614506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).