2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine

C8H10F3N3 — CID 91070744

IUPAC2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1ncnc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-7(2,3)5-12-4-13-6(14-5)8(9,10)11/h4H,1-3H3
InChIKeyVMBPFRKZZSZTHO-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.19
Rot. Bonds

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

2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine (PubChem CID 91070744) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
PubChem CID91070744
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine
SMILESCC(C)(C)c1ncnc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-7(2,3)5-12-4-13-6(14-5)8(9,10)11/h4H,1-3H3
InChIKeyVMBPFRKZZSZTHO-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine (CID 91070744) is 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine is CC(C)(C)c1ncnc(C(F)(F)F)n1.
What is the InChIKey of 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is VMBPFRKZZSZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-7(2,3)5-12-4-13-6(14-5)8(9,10)11/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine?
2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 205.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 91070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).