2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine

C13H4F15N3 — CID 15517155

IUPAC2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NC(F)(C(F)(F)C(F)(F)C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C13H4F15N3/c14-7(15,8(16,17)11(22,23)24)6-30-13(28,29-5-3-1-2-4-31(5)6)10(20,21)9(18,19)12(25,26)27/h1-4H
InChIKeyWVJRBPKXZHEJJD-UHFFFAOYSA-N
MW487.17 g/mol
LogP5.47
Rot. Bonds4

About 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine

2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 15517155) has the molecular formula C13H4F15N3 and a molecular weight of 487.17 g/mol. Its IUPAC name is 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID15517155
Molecular FormulaC13H4F15N3
Molecular Weight487.17 g/mol
Exact Mass487.02
IUPAC Name2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C1=NC(F)(C(F)(F)C(F)(F)C(F)(F)F)N=C2C=CC=CN21
InChIInChI=1S/C13H4F15N3/c14-7(15,8(16,17)11(22,23)24)6-30-13(28,29-5-3-1-2-4-31(5)6)10(20,21)9(18,19)12(25,26)27/h1-4H
InChIKeyWVJRBPKXZHEJJD-UHFFFAOYSA-N
XLogP5.47
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine with MolForge

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Related Compounds

4-Trifluoromethylpyrido[1,2-a]-[1,3,5]triazin-2-one
CID 129751111
4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5226153
2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 91528254
2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 141053132
7-fluoro-4H-pyrido[1,2-a]pyrimidine
CID 169220442
1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine
CID 175548262
4-Fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
CID 15517144
2,4-Difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 101033013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine (CID 15517155) is 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine is FC(F)(F)C(F)(F)C(F)(F)C1=NC(F)(C(F)(F)C(F)(F)C(F)(F)F)N=C2C=CC=CN21.
What is the InChIKey of 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is WVJRBPKXZHEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4F15N3/c14-7(15,8(16,17)11(22,23)24)6-30-13(28,29-5-3-1-2-4-31(5)6)10(20,21)9(18,19)12(25,26)27/h1-4H.
What are the key properties of 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine?
2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 487.17 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 15517155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).