1,2,3-trifluoro-4-phenyl-4H-triazine

C9H8F3N3 — CID 142739937

IUPAC1,2,3-trifluoro-4-phenyl-4H-triazine
SMILESFN1C=CC(c2ccccc2)N(F)N1F
InChIInChI=1S/C9H8F3N3/c10-13-7-6-9(14(11)15(13)12)8-4-2-1-3-5-8/h1-7,9H
InChIKeyPBQRDWWMKNRVJB-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.64
Rot. Bonds1

About 1,2,3-trifluoro-4-phenyl-4H-triazine

1,2,3-trifluoro-4-phenyl-4H-triazine (PubChem CID 142739937) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1,2,3-trifluoro-4-phenyl-4H-triazine.

Molecular Properties

Compound Name1,2,3-trifluoro-4-phenyl-4H-triazine
PubChem CID142739937
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1,2,3-trifluoro-4-phenyl-4H-triazine
SMILESFN1C=CC(c2ccccc2)N(F)N1F
InChIInChI=1S/C9H8F3N3/c10-13-7-6-9(14(11)15(13)12)8-4-2-1-3-5-8/h1-7,9H
InChIKeyPBQRDWWMKNRVJB-UHFFFAOYSA-N
XLogP2.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 152538395
1,2-dimethyl-5-phenyl-2,5-dihydropyrrole
CID 121010518
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CID 174991192
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
diphenyliodanium;ethane;methane
CID 159636739
1-fluoro-4-phenylpiperidine
CID 143940552
4-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
CID 57182714
benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
CID 163918485
2-ethyl-3-phenyl-3H-1,2-oxazole
CID 139560895
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
diphenyliodanium;hydroiodide
CID 54604341
hexakis(diphenyliodanium);fluoroarsinate
CID 173377411

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-4-phenyl-4H-triazine?
The IUPAC name of 1,2,3-trifluoro-4-phenyl-4H-triazine (CID 142739937) is 1,2,3-trifluoro-4-phenyl-4H-triazine.
What is the SMILES notation for 1,2,3-trifluoro-4-phenyl-4H-triazine?
The canonical SMILES for 1,2,3-trifluoro-4-phenyl-4H-triazine is FN1C=CC(c2ccccc2)N(F)N1F.
What is the InChIKey of 1,2,3-trifluoro-4-phenyl-4H-triazine?
The InChIKey is PBQRDWWMKNRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-13-7-6-9(14(11)15(13)12)8-4-2-1-3-5-8/h1-7,9H.
What are the key properties of 1,2,3-trifluoro-4-phenyl-4H-triazine?
1,2,3-trifluoro-4-phenyl-4H-triazine has a molecular weight of 215.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-4-phenyl-4H-triazine is sourced from PubChem (CID 142739937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).