2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine

C7F9N3 — CID 23233261

IUPAC2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)c1nc(F)nc(F)n1
InChIInChI=1S/C7F9N3/c8-1(2(6(11,12)13)7(14,15)16)3-17-4(9)19-5(10)18-3
InChIKeyASPQYUAQTIRPEE-UHFFFAOYSA-N
MW297.08 g/mol
LogP2.95
Rot. Bonds1

About 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine

2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine (PubChem CID 23233261) has the molecular formula C7F9N3 and a molecular weight of 297.08 g/mol. Its IUPAC name is 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine
PubChem CID23233261
Molecular FormulaC7F9N3
Molecular Weight297.08 g/mol
Exact Mass296.99
IUPAC Name2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine
SMILESFC(=C(C(F)(F)F)C(F)(F)F)c1nc(F)nc(F)n1
InChIInChI=1S/C7F9N3/c8-1(2(6(11,12)13)7(14,15)16)3-17-4(9)19-5(10)18-3
InChIKeyASPQYUAQTIRPEE-UHFFFAOYSA-N
XLogP2.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine (CID 23233261) is 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine is FC(=C(C(F)(F)F)C(F)(F)F)c1nc(F)nc(F)n1.
What is the InChIKey of 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine?
The InChIKey is ASPQYUAQTIRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F9N3/c8-1(2(6(11,12)13)7(14,15)16)3-17-4(9)19-5(10)18-3.
What are the key properties of 2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine?
2,4-difluoro-6-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine has a molecular weight of 297.08 g/mol, XLogP of 2.95, 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-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]-1,3,5-triazine is sourced from PubChem (CID 23233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).