4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine

C11H12FN3O2 — CID 137407547

IUPAC4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine
SMILESCOC1=NC(OC)(c2ccccc2F)N=CN1
InChIInChI=1S/C11H12FN3O2/c1-16-10-13-7-14-11(15-10,17-2)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,13,14,15)
InChIKeySVFZDRRETMBOCF-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.22
Rot. Bonds2

About 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine

4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine (PubChem CID 137407547) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine
PubChem CID137407547
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine
SMILESCOC1=NC(OC)(c2ccccc2F)N=CN1
InChIInChI=1S/C11H12FN3O2/c1-16-10-13-7-14-11(15-10,17-2)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,13,14,15)
InChIKeySVFZDRRETMBOCF-UHFFFAOYSA-N
XLogP1.22
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine?
The IUPAC name of 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine (CID 137407547) is 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine.
What is the SMILES notation for 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine?
The canonical SMILES for 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine is COC1=NC(OC)(c2ccccc2F)N=CN1.
What is the InChIKey of 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine?
The InChIKey is SVFZDRRETMBOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-16-10-13-7-14-11(15-10,17-2)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine?
4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine has a molecular weight of 237.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,4-dimethoxy-1H-1,3,5-triazine is sourced from PubChem (CID 137407547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).