2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine

C11H7ClF3N3O — CID 113324560

IUPAC2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C11H7ClF3N3O/c1-2-19-11-17-9(16-10(12)18-11)5-3-7(14)8(15)4-6(5)13/h3-4H,2H2,1H3
InChIKeyGWJNZVNFDKACNB-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine (PubChem CID 113324560) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
PubChem CID113324560
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C11H7ClF3N3O/c1-2-19-11-17-9(16-10(12)18-11)5-3-7(14)8(15)4-6(5)13/h3-4H,2H2,1H3
InChIKeyGWJNZVNFDKACNB-UHFFFAOYSA-N
XLogP3.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 115503226
4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503285
2-chloro-4-ethoxy-6-(3-fluoro-4-pyridinyl)-1,3,5-triazine
CID 104739155
2-chloro-4-ethoxy-6-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 102752863
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734259
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859394
2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62857200
4-chloro-6-ethoxy-N-ethyl-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858407
6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 81221812
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 107576870
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 116645207
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine (CID 113324560) is 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine is CCOc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The InChIKey is GWJNZVNFDKACNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-2-19-11-17-9(16-10(12)18-11)5-3-7(14)8(15)4-6(5)13/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine has a molecular weight of 289.64 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 113324560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).