2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine

C10F13N3 — CID 23233447

IUPAC2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)=C(F)C(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)C(F)=C(F)F)n1
InChIInChI=1S/C10F13N3/c11-1(3(13)14)8(17,18)5-24-6(9(19,20)2(12)4(15)16)26-7(25-5)10(21,22)23
InChIKeyZPHRXQKEXUBVSR-UHFFFAOYSA-N
MW409.11 g/mol
LogP5.23
Rot. Bonds4

About 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine

2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 23233447) has the molecular formula C10F13N3 and a molecular weight of 409.11 g/mol. Its IUPAC name is 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID23233447
Molecular FormulaC10F13N3
Molecular Weight409.11 g/mol
Exact Mass408.99
IUPAC Name2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)=C(F)C(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)C(F)=C(F)F)n1
InChIInChI=1S/C10F13N3/c11-1(3(13)14)8(17,18)5-24-6(9(19,20)2(12)4(15)16)26-7(25-5)10(21,22)23
InChIKeyZPHRXQKEXUBVSR-UHFFFAOYSA-N
XLogP5.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.11
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine (CID 23233447) is 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine is FC(F)=C(F)C(F)(F)c1nc(C(F)(F)F)nc(C(F)(F)C(F)=C(F)F)n1.
What is the InChIKey of 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is ZPHRXQKEXUBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F13N3/c11-1(3(13)14)8(17,18)5-24-6(9(19,20)2(12)4(15)16)26-7(25-5)10(21,22)23.
What are the key properties of 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine?
2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 409.11 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1,1,2,3,3-pentafluoroprop-2-enyl)-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 23233447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).