2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C10H8F3N5 — CID 757416

IUPAC2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-4-7(6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18)
InChIKeyJEXHKZHYTMXRJF-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.22
Rot. Bonds2

About 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 757416) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID757416
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-4-7(6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18)
InChIKeyJEXHKZHYTMXRJF-UHFFFAOYSA-N
XLogP2.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 757416) is 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1ncnc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JEXHKZHYTMXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-2-4-7(6)17-9-16-5-15-8(14)18-9/h1-5H,(H3,14,15,16,17,18).
What are the key properties of 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 255.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 757416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).