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

C9H6ClFN4 — CID 172686201

IUPAC4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2ncnc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN4/c10-8-12-5-13-9(15-8)14-7-3-1-6(11)2-4-7/h1-5H,(H,12,13,14,15)
InChIKeyBBLWPVGIIHOMPY-UHFFFAOYSA-N
MW224.63 g/mol
LogP2.41
Rot. Bonds2

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

4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 172686201) has the molecular formula C9H6ClFN4 and a molecular weight of 224.63 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID172686201
Molecular FormulaC9H6ClFN4
Molecular Weight224.63 g/mol
Exact Mass224.03
IUPAC Name4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2ncnc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN4/c10-8-12-5-13-9(15-8)14-7-3-1-6(11)2-4-7/h1-5H,(H,12,13,14,15)
InChIKeyBBLWPVGIIHOMPY-UHFFFAOYSA-N
XLogP2.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine (CID 172686201) is 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine is Fc1ccc(Nc2ncnc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is BBLWPVGIIHOMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4/c10-8-12-5-13-9(15-8)14-7-3-1-6(11)2-4-7/h1-5H,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 224.63 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 172686201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).