2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine

C12H9F6N3 — CID 23226946

IUPAC2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine
SMILESC=CC(F)(F)c1nc(C(F)(F)C=C)nc(C(F)(F)C=C)n1
InChIInChI=1S/C12H9F6N3/c1-4-10(13,14)7-19-8(11(15,16)5-2)21-9(20-7)12(17,18)6-3/h4-6H,1-3H2
InChIKeyJBTNJKTWKKXZGN-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.70
Rot. Bonds6

About 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine

2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine (PubChem CID 23226946) has the molecular formula C12H9F6N3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine
PubChem CID23226946
Molecular FormulaC12H9F6N3
Molecular Weight309.21 g/mol
Exact Mass309.07
IUPAC Name2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine
SMILESC=CC(F)(F)c1nc(C(F)(F)C=C)nc(C(F)(F)C=C)n1
InChIInChI=1S/C12H9F6N3/c1-4-10(13,14)7-19-8(11(15,16)5-2)21-9(20-7)12(17,18)6-3/h4-6H,1-3H2
InChIKeyJBTNJKTWKKXZGN-UHFFFAOYSA-N
XLogP3.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris(1,1-difluorobut-3-enyl)-1,3,5-triazine
CID 23226951
2,4,6-Tris(1,1,3,3-tetrafluoroprop-2-enyl)-1,3,5-triazine
CID 177370640
2,4,6-Tris(1,1,2,2,3,3,4,4,5,5-decafluorohept-6-enyl)-1,3,5-triazine
CID 10865880
2,4-Bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine
CID 23233447
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-4,6-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3,5-triazine
CID 23233457
2-Ethenyl-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
CID 154214388
2-Ethenyl-4,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
CID 154352199
2,4,6-Tris(prop-2-enyl)-1,3,5-triazine
CID 10921567
2-Chloro-4,6-bis(prop-2-enyl)-1,3,5-triazine
CID 88438994
2,4-Dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine (CID 23226946) is 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine is C=CC(F)(F)c1nc(C(F)(F)C=C)nc(C(F)(F)C=C)n1.
What is the InChIKey of 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine?
The InChIKey is JBTNJKTWKKXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6N3/c1-4-10(13,14)7-19-8(11(15,16)5-2)21-9(20-7)12(17,18)6-3/h4-6H,1-3H2.
What are the key properties of 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine?
2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine has a molecular weight of 309.21 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1-difluoroprop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 23226946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).