4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C5H2F6N4O — CID 19006209

IUPAC4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C5H2F6N4O/c6-4(7,8)1-13-2(12)15-3(14-1)16-5(9,10)11/h(H2,12,13,14,15)
InChIKeyWTUCVODURZQPRE-UHFFFAOYSA-N
MW248.09 g/mol
LogP1.37
Rot. Bonds1

About 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19006209) has the molecular formula C5H2F6N4O and a molecular weight of 248.09 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19006209
Molecular FormulaC5H2F6N4O
Molecular Weight248.09 g/mol
Exact Mass248.01
IUPAC Name4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(OC(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C5H2F6N4O/c6-4(7,8)1-13-2(12)15-3(14-1)16-5(9,10)11/h(H2,12,13,14,15)
InChIKeyWTUCVODURZQPRE-UHFFFAOYSA-N
XLogP1.37
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 199948
2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
6-(Trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12806
4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244964
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493
2-trifluoromethyl-4-(N-dichloroamino)-6-amino-s-triazine
CID 129791092
2-Trifluoromethyl-4-dibromoamino-6-bromoamino-s-triazine
CID 129791411
2-Amino-4-difluoromethyl-6-methoxy-1,3,5-triazine
CID 18472023
N-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006220
4-[Chloro(difluoro)methoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006226

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19006209) is 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(OC(F)(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is WTUCVODURZQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N4O/c6-4(7,8)1-13-2(12)15-3(14-1)16-5(9,10)11/h(H2,12,13,14,15).
What are the key properties of 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 248.09 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).