2-(2,3,4-trifluorophenyl)-1,3,5-triazine

C9H4F3N3 — CID 175245478

IUPAC2-(2,3,4-trifluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2ncncn2)c(F)c1F
InChIInChI=1S/C9H4F3N3/c10-6-2-1-5(7(11)8(6)12)9-14-3-13-4-15-9/h1-4H
InChIKeyVKRYOWKGWKVDAA-UHFFFAOYSA-N
MW211.15 g/mol
LogP1.96
Rot. Bonds1

About 2-(2,3,4-trifluorophenyl)-1,3,5-triazine

2-(2,3,4-trifluorophenyl)-1,3,5-triazine (PubChem CID 175245478) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)-1,3,5-triazine
PubChem CID175245478
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name2-(2,3,4-trifluorophenyl)-1,3,5-triazine
SMILESFc1ccc(-c2ncncn2)c(F)c1F
InChIInChI=1S/C9H4F3N3/c10-6-2-1-5(7(11)8(6)12)9-14-3-13-4-15-9/h1-4H
InChIKeyVKRYOWKGWKVDAA-UHFFFAOYSA-N
XLogP1.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-[2-(2,3,4-trifluorophenyl)pyrimidin-5-yl]carbazole
CID 141380983
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
2-[2,4-bis(4-fluoro-3,5-dimethylphenyl)phenyl]-1,3,5-triazine
CID 175308054
2-(2,3-difluorophenyl)pyrimidine
CID 22717518
1,2,4,5-tetrafluoro-3-(2,3,4-trifluorophenyl)benzene
CID 164665926
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 81223655
2-imidazol-1-yl-4-(2,3,4-trifluorophenyl)pyrimidine
CID 175240434
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512
4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
5-(2,3,4-trifluorophenyl)pyridin-3-ol
CID 79020426
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,3,4-trifluorophenyl)-1,3,5-triazine (CID 175245478) is 2-(2,3,4-trifluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)-1,3,5-triazine is Fc1ccc(-c2ncncn2)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)-1,3,5-triazine?
The InChIKey is VKRYOWKGWKVDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c10-6-2-1-5(7(11)8(6)12)9-14-3-13-4-15-9/h1-4H.
What are the key properties of 2-(2,3,4-trifluorophenyl)-1,3,5-triazine?
2-(2,3,4-trifluorophenyl)-1,3,5-triazine has a molecular weight of 211.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 175245478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).