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

C6F9N3 — CID 15522403

IUPAC2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C6F9N3/c7-2-16-1(17-3(8)18-2)4(9,5(10,11)12)6(13,14)15
InChIKeyFKUOBTQMGDYFFA-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.44
Rot. Bonds1

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

2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (PubChem CID 15522403) has the molecular formula C6F9N3 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
PubChem CID15522403
Molecular FormulaC6F9N3
Molecular Weight285.07 g/mol
Exact Mass284.99
IUPAC Name2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C6F9N3/c7-2-16-1(17-3(8)18-2)4(9,5(10,11)12)6(13,14)15
InChIKeyFKUOBTQMGDYFFA-UHFFFAOYSA-N
XLogP2.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 11028301
2-Fluoro-4,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
CID 15522404
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
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
1,3,5-Triazine, 2,4,6-tris(1,1,2,2-tetrafluoro-2-iodoethyl)-
CID 12119971
2-Amino-4,6-bis(heptafluoropropyl)-1,3,5-triazine
CID 15486769

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (CID 15522403) is 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is Fc1nc(F)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The InChIKey is FKUOBTQMGDYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F9N3/c7-2-16-1(17-3(8)18-2)4(9,5(10,11)12)6(13,14)15.
What are the key properties of 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine has a molecular weight of 285.07 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 15522403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).