2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

C6H5F4N3 — CID 126561535

IUPAC2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCc1nc(CF)nc(C(F)(F)F)n1
InChIInChI=1S/C6H5F4N3/c1-3-11-4(2-7)13-5(12-3)6(8,9)10/h2H2,1H3
InChIKeyKMKGJPGHASSDRJ-UHFFFAOYSA-N
MW195.12 g/mol
LogP1.67
Rot. Bonds1

About 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 126561535) has the molecular formula C6H5F4N3 and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID126561535
Molecular FormulaC6H5F4N3
Molecular Weight195.12 g/mol
Exact Mass195.04
IUPAC Name2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCc1nc(CF)nc(C(F)(F)F)n1
InChIInChI=1S/C6H5F4N3/c1-3-11-4(2-7)13-5(12-3)6(8,9)10/h2H2,1H3
InChIKeyKMKGJPGHASSDRJ-UHFFFAOYSA-N
XLogP1.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (CID 126561535) is 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is Cc1nc(CF)nc(C(F)(F)F)n1.
What is the InChIKey of 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is KMKGJPGHASSDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3/c1-3-11-4(2-7)13-5(12-3)6(8,9)10/h2H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 195.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 126561535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).