1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

C13H17F6N3 — CID 17344644

IUPAC1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C)N1C1CCCCC1
InChIInChI=1S/C13H17F6N3/c1-8-20-11(12(14,15)16,13(17,18)19)21-9(2)22(8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyMBONSYKKTUXFNX-UHFFFAOYSA-N
MW329.29 g/mol
LogP4.29
Rot. Bonds1

About 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344644) has the molecular formula C13H17F6N3 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344644
Molecular FormulaC13H17F6N3
Molecular Weight329.29 g/mol
Exact Mass329.13
IUPAC Name1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C)N1C1CCCCC1
InChIInChI=1S/C13H17F6N3/c1-8-20-11(12(14,15)16,13(17,18)19)21-9(2)22(8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyMBONSYKKTUXFNX-UHFFFAOYSA-N
XLogP4.29
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344644) is 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is CC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is MBONSYKKTUXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N3/c1-8-20-11(12(14,15)16,13(17,18)19)21-9(2)22(8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 329.29 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).