4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine

C11H10ClFN4O — CID 62858365

IUPAC4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2ccccc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-2-18-11-16-9(12)15-10(17-11)14-8-6-4-3-5-7(8)13/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyJPEOLLHKCDNQLE-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 62858365) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID62858365
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2ccccc2F)n1
InChIInChI=1S/C11H10ClFN4O/c1-2-18-11-16-9(12)15-10(17-11)14-8-6-4-3-5-7(8)13/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyJPEOLLHKCDNQLE-UHFFFAOYSA-N
XLogP2.81
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine (CID 62858365) is 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is JPEOLLHKCDNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-2-18-11-16-9(12)15-10(17-11)14-8-6-4-3-5-7(8)13/h3-6H,2H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 268.68 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).