2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine

C6H2F7N3 — CID 163490431

IUPAC2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(CC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C6H2F7N3/c7-4-15-2(1-5(8,9)10)14-3(16-4)6(11,12)13/h1H2
InChIKeyCMDHJWSEKSGNPG-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.13
Rot. Bonds1

About 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine

2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 163490431) has the molecular formula C6H2F7N3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID163490431
Molecular FormulaC6H2F7N3
Molecular Weight249.09 g/mol
Exact Mass249.01
IUPAC Name2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFc1nc(CC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C6H2F7N3/c7-4-15-2(1-5(8,9)10)14-3(16-4)6(11,12)13/h1H2
InChIKeyCMDHJWSEKSGNPG-UHFFFAOYSA-N
XLogP2.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine (CID 163490431) is 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine is Fc1nc(CC(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is CMDHJWSEKSGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F7N3/c7-4-15-2(1-5(8,9)10)14-3(16-4)6(11,12)13/h1H2.
What are the key properties of 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine?
2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 249.09 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 163490431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).