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

C9F15N3 — CID 15522404

IUPAC2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9F15N3/c10-3-26-1(4(11,6(13,14)15)7(16,17)18)25-2(27-3)5(12,8(19,20)21)9(22,23)24
InChIKeyLYVHRRLFROJYNC-UHFFFAOYSA-N
MW435.09 g/mol
LogP4.59
Rot. Bonds2

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

2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (PubChem CID 15522404) has the molecular formula C9F15N3 and a molecular weight of 435.09 g/mol. Its IUPAC name is 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
PubChem CID15522404
Molecular FormulaC9F15N3
Molecular Weight435.09 g/mol
Exact Mass434.99
IUPAC Name2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9F15N3/c10-3-26-1(4(11,6(13,14)15)7(16,17)18)25-2(27-3)5(12,8(19,20)21)9(22,23)24
InChIKeyLYVHRRLFROJYNC-UHFFFAOYSA-N
XLogP4.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.09
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine
CID 70185
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
CID 70072
2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
CID 550641
2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
CID 636356
2,4,6-Tris(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 11028301
2,4,6-Tris(undecafluoropentyl)-1,3,5-triazine
CID 13783171
2,4-Difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522403
1,3,5-Triazine, 2-chloro-4,6-bis(nonafluoro-tert-butyl)-
CID 635941
1,3,5-Triazine, 2-amino-4,6-bis(nonafluoro-tert-butyl)-
CID 549779
2,4,6-Tris(nonafluoro-t-butyl)-1,3,5-triazine
CID 549799
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (CID 15522404) is 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is Fc1nc(C(F)(C(F)(F)F)C(F)(F)F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The InChIKey is LYVHRRLFROJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F15N3/c10-3-26-1(4(11,6(13,14)15)7(16,17)18)25-2(27-3)5(12,8(19,20)21)9(22,23)24.
What are the key properties of 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine has a molecular weight of 435.09 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 15522404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).