2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C12H10BrClFN3O — CID 106646719

IUPAC2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2cccc(Br)c2F)n1
InChIInChI=1S/C12H10BrClFN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-4-3-5-8(13)9(7)15/h3-6H,1-2H3
InChIKeyPNNKQJRPMLSSNG-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.88
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 106646719) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID106646719
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2cccc(Br)c2F)n1
InChIInChI=1S/C12H10BrClFN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-4-3-5-8(13)9(7)15/h3-6H,1-2H3
InChIKeyPNNKQJRPMLSSNG-UHFFFAOYSA-N
XLogP3.88
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106763689
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
2-chloro-4-(2-cyclobutylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 114606768
2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 115504443
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 103434463
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 114734361
4-(3-fluoro-2-methylphenyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503015
4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106646818
4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
CID 83240116
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 106646719) is 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(-c2cccc(Br)c2F)n1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is PNNKQJRPMLSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-4-3-5-8(13)9(7)15/h3-6H,1-2H3.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 346.59 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 106646719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).