4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine

C15H8F7N3 — CID 556116

IUPAC4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC=CN32)cc1
InChIInChI=1S/C15H8F7N3/c16-10-6-4-9(5-7-10)12-24-13(14(17,18)19,15(20,21)22)23-11-3-1-2-8-25(11)12/h1-8H
InChIKeyAIVRNMFBZGHRIP-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.19
Rot. Bonds1

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

4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (PubChem CID 556116) has the molecular formula C15H8F7N3 and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
PubChem CID556116
Molecular FormulaC15H8F7N3
Molecular Weight363.24 g/mol
Exact Mass363.06
IUPAC Name4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
SMILESFc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC=CN32)cc1
InChIInChI=1S/C15H8F7N3/c16-10-6-4-9(5-7-10)12-24-13(14(17,18)19,15(20,21)22)23-11-3-1-2-8-25(11)12/h1-8H
InChIKeyAIVRNMFBZGHRIP-UHFFFAOYSA-N
XLogP4.19
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The IUPAC name of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine (CID 556116) is 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The canonical SMILES for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC=CN32)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
The InChIKey is AIVRNMFBZGHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F7N3/c16-10-6-4-9(5-7-10)12-24-13(14(17,18)19,15(20,21)22)23-11-3-1-2-8-25(11)12/h1-8H.
What are the key properties of 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine?
4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine has a molecular weight of 363.24 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine is sourced from PubChem (CID 556116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).