4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C10H5ClF4N4 — CID 83240914

IUPAC4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C10H5ClF4N4/c11-8-17-7(18-9(16)19-8)4-2-1-3-5(6(4)12)10(13,14)15/h1-3H,(H2,16,17,18,19)
InChIKeyCTGICUVJLJUCIL-UHFFFAOYSA-N
MW292.62 g/mol
LogP2.93
Rot. Bonds1

About 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 83240914) has the molecular formula C10H5ClF4N4 and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID83240914
Molecular FormulaC10H5ClF4N4
Molecular Weight292.62 g/mol
Exact Mass292.01
IUPAC Name4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-c2cccc(C(F)(F)F)c2F)n1
InChIInChI=1S/C10H5ClF4N4/c11-8-17-7(18-9(16)19-8)4-2-1-3-5(6(4)12)10(13,14)15/h1-3H,(H2,16,17,18,19)
InChIKeyCTGICUVJLJUCIL-UHFFFAOYSA-N
XLogP2.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 52.93
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-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 83240914) is 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-c2cccc(C(F)(F)F)c2F)n1.
What is the InChIKey of 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is CTGICUVJLJUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N4/c11-8-17-7(18-9(16)19-8)4-2-1-3-5(6(4)12)10(13,14)15/h1-3H,(H2,16,17,18,19).
What are the key properties of 4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 292.62 g/mol, XLogP of 2.93, 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-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).