2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine

C15H11F14N3O — CID 15522406

IUPAC2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(c1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H11F14N3O/c16-10(12(18,19)20,13(21,22)23)7-30-8(11(17,14(24,25)26)15(27,28)29)32-9(31-7)33-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFZTBIOPSZXNGJK-UHFFFAOYSA-N
MW515.25 g/mol
LogP6.16
Rot. Bonds4

About 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine

2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (PubChem CID 15522406) has the molecular formula C15H11F14N3O and a molecular weight of 515.25 g/mol. Its IUPAC name is 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
PubChem CID15522406
Molecular FormulaC15H11F14N3O
Molecular Weight515.25 g/mol
Exact Mass515.07
IUPAC Name2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(c1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C15H11F14N3O/c16-10(12(18,19)20,13(21,22)23)7-30-8(11(17,14(24,25)26)15(27,28)29)32-9(31-7)33-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFZTBIOPSZXNGJK-UHFFFAOYSA-N
XLogP6.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.25
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (CID 15522406) is 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is FC(F)(F)C(F)(c1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The InChIKey is FZTBIOPSZXNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F14N3O/c16-10(12(18,19)20,13(21,22)23)7-30-8(11(17,14(24,25)26)15(27,28)29)32-9(31-7)33-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine has a molecular weight of 515.25 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 15522406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).