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

C11H7F6N5 — CID 690744

IUPAC6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5/c12-10(13,14)5-2-1-3-6(4-5)19-9-21-7(11(15,16)17)20-8(18)22-9/h1-4H,(H3,18,19,20,21,22)
InChIKeyBWAMPMQJCLPKTR-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.23
Rot. Bonds2

About 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 690744) has the molecular formula C11H7F6N5 and a molecular weight of 323.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID690744
Molecular FormulaC11H7F6N5
Molecular Weight323.20 g/mol
Exact Mass323.06
IUPAC Name6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5/c12-10(13,14)5-2-1-3-6(4-5)19-9-21-7(11(15,16)17)20-8(18)22-9/h1-4H,(H3,18,19,20,21,22)
InChIKeyBWAMPMQJCLPKTR-UHFFFAOYSA-N
XLogP3.23
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 690744) is 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BWAMPMQJCLPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N5/c12-10(13,14)5-2-1-3-6(4-5)19-9-21-7(11(15,16)17)20-8(18)22-9/h1-4H,(H3,18,19,20,21,22).
What are the key properties of 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 323.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 690744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).