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

C10H5ClF3N3O — CID 115503226

IUPAC2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C10H5ClF3N3O/c1-18-10-16-8(15-9(11)17-10)4-2-6(13)7(14)3-5(4)12/h2-3H,1H3
InChIKeyFAYFQNSFYGYVOS-UHFFFAOYSA-N
MW275.62 g/mol
LogP2.62
Rot. Bonds2

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

2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine (PubChem CID 115503226) has the molecular formula C10H5ClF3N3O and a molecular weight of 275.62 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
PubChem CID115503226
Molecular FormulaC10H5ClF3N3O
Molecular Weight275.62 g/mol
Exact Mass275.01
IUPAC Name2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1
InChIInChI=1S/C10H5ClF3N3O/c1-18-10-16-8(15-9(11)17-10)4-2-6(13)7(14)3-5(4)12/h2-3H,1H3
InChIKeyFAYFQNSFYGYVOS-UHFFFAOYSA-N
XLogP2.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 52.62
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-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
2-chloro-4-methoxy-6-(2-methylthiophen-3-yl)-1,3,5-triazine
CID 102838231
2-chloro-4-methoxy-6-(3-methyl-4-pyridinyl)-1,3,5-triazine
CID 66279714
2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
CID 104516518
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62859359
4-chloro-N,N-diethyl-6-(2-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine
CID 115505193
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
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine (CID 115503226) is 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine is COc1nc(Cl)nc(-c2cc(F)c(F)cc2F)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
The InChIKey is FAYFQNSFYGYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O/c1-18-10-16-8(15-9(11)17-10)4-2-6(13)7(14)3-5(4)12/h2-3H,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine has a molecular weight of 275.62 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 115503226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).