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

C4H2F4N4O — CID 15010388

IUPAC4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(F)(F)F)n1
InChIInChI=1S/C4H2F4N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12)
InChIKeyWGBJUAFOUFUVGD-UHFFFAOYSA-N
MW198.08 g/mol
LogP0.49
Rot. Bonds1

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

4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 15010388) has the molecular formula C4H2F4N4O and a molecular weight of 198.08 g/mol. Its IUPAC name is 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID15010388
Molecular FormulaC4H2F4N4O
Molecular Weight198.08 g/mol
Exact Mass198.02
IUPAC Name4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(F)(F)F)n1
InChIInChI=1S/C4H2F4N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12)
InChIKeyWGBJUAFOUFUVGD-UHFFFAOYSA-N
XLogP0.49
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
4-[Chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
CID 11009320
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CID 15010387
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4-Chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 19006213
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
2-Chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 19104356
4-(Difluoromethoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 20267316
4,6-Bis[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 57243326
1,1,2,2-Tetrafluoroethene;1,3,5-triazine-2,4,6-triamine
CID 67173964

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 15010388) is 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is Nc1nc(F)nc(OC(F)(F)F)n1.
What is the InChIKey of 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is WGBJUAFOUFUVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12).
What are the key properties of 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 198.08 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).