4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine

C10H8ClFN4 — CID 83240116

IUPAC4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(Cl)n2)c1F
InChIInChI=1S/C10H8ClFN4/c1-5-3-2-4-6(7(5)12)8-14-9(11)16-10(13)15-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyYGGJWSLFTCJQJM-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine

4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 83240116) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID83240116
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(Cl)n2)c1F
InChIInChI=1S/C10H8ClFN4/c1-5-3-2-4-6(7(5)12)8-14-9(11)16-10(13)15-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyYGGJWSLFTCJQJM-UHFFFAOYSA-N
XLogP2.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine (CID 83240116) is 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(N)nc(Cl)n2)c1F.
What is the InChIKey of 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is YGGJWSLFTCJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c1-5-3-2-4-6(7(5)12)8-14-9(11)16-10(13)15-8/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 238.65 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).