6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione

C10H6F3N3O2 — CID 170168932

IUPAC6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Cc2cc(F)c(F)cc2F)[nH]c(=O)[nH]1
InChIInChI=1S/C10H6F3N3O2/c11-5-3-7(13)6(12)1-4(5)2-8-14-9(17)16-10(18)15-8/h1,3H,2H2,(H2,14,15,16,17,18)
InChIKeyKQOLLNCDHFZPLH-UHFFFAOYSA-N
MW257.17 g/mol
LogP0.47
Rot. Bonds2

About 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione

6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione (PubChem CID 170168932) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione
PubChem CID170168932
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(Cc2cc(F)c(F)cc2F)[nH]c(=O)[nH]1
InChIInChI=1S/C10H6F3N3O2/c11-5-3-7(13)6(12)1-4(5)2-8-14-9(17)16-10(18)15-8/h1,3H,2H2,(H2,14,15,16,17,18)
InChIKeyKQOLLNCDHFZPLH-UHFFFAOYSA-N
XLogP0.47
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-Phenylvinyl)-1,3,5-triazine-2,4-diol
CID 5718680
6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
CID 24036
4-[amino(trifluoromethyl)amino]-6-benzyl-1H-1,3,5-triazin-2-one
CID 135609581
6-benzyl-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 135997692
6-[2-(2,3-difluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
CID 171522270
6-(3,3,3-trifluoro-2-phenylpropyl)-1H-1,3,5-triazine-2,4-dione
CID 171522351
6-[2-(2-fluorophenyl)propyl]-1H-1,3,5-triazine-2,4-dione
CID 171522471
6-(4-fluorophenyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 53215420
3-(3,5-Difluorobenzyl)-1,2,4-oxadiazol-5(4H)-one
CID 136117035
4-amino-6-[(2,4-difluorophenyl)methyl]-1H-1,3,5-triazin-2-one
CID 136303276
4-amino-6-[(2,3-difluorophenyl)methyl]-1H-1,3,5-triazin-2-one
CID 136303289
4-amino-6-(3,4,5-trifluorophenyl)-1H-1,3,5-triazin-2-one
CID 136303325

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione (CID 170168932) is 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione is O=c1nc(Cc2cc(F)c(F)cc2F)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is KQOLLNCDHFZPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-5-3-7(13)6(12)1-4(5)2-8-14-9(17)16-10(18)15-8/h1,3H,2H2,(H2,14,15,16,17,18).
What are the key properties of 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione?
6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 257.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4,5-trifluorophenyl)methyl]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 170168932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).