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

C15H5F14N3O — CID 15522407

IUPAC2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-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/C15H5F14N3O/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/h1-5H
InChIKeyUTVSANAFKADDRO-UHFFFAOYSA-N
MW509.20 g/mol
LogP6.24
Rot. Bonds4

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

2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine (PubChem CID 15522407) has the molecular formula C15H5F14N3O and a molecular weight of 509.20 g/mol. Its IUPAC name is 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine
PubChem CID15522407
Molecular FormulaC15H5F14N3O
Molecular Weight509.20 g/mol
Exact Mass509.02
IUPAC Name2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-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/C15H5F14N3O/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/h1-5H
InChIKeyUTVSANAFKADDRO-UHFFFAOYSA-N
XLogP6.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.20
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine (CID 15522407) is 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-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 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine?
The InChIKey is UTVSANAFKADDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F14N3O/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/h1-5H.
What are the key properties of 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine?
2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine has a molecular weight of 509.20 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-phenoxy-1,3,5-triazine is sourced from PubChem (CID 15522407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).