N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C10H12F6N4O2 — CID 2267441

IUPACN-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F6N4O2/c1-2-3-17-6-18-7(21-4-9(11,12)13)20-8(19-6)22-5-10(14,15)16/h2-5H2,1H3,(H,17,18,19,20)
InChIKeyXZMRPWIOERXWCO-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.58
Rot. Bonds7

About N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 2267441) has the molecular formula C10H12F6N4O2 and a molecular weight of 334.22 g/mol. Its IUPAC name is N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID2267441
Molecular FormulaC10H12F6N4O2
Molecular Weight334.22 g/mol
Exact Mass334.09
IUPAC NameN-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F6N4O2/c1-2-3-17-6-18-7(21-4-9(11,12)13)20-8(19-6)22-5-10(14,15)16/h2-5H2,1H3,(H,17,18,19,20)
InChIKeyXZMRPWIOERXWCO-UHFFFAOYSA-N
XLogP2.58
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-tert-butyl-amine
CID 630512
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
N-tert-butyl-N'-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 879069
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 2056051
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
4-N-butyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 126478020

Frequently Asked Questions

What is the IUPAC name of N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 2267441) is N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CCCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is XZMRPWIOERXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N4O2/c1-2-3-17-6-18-7(21-4-9(11,12)13)20-8(19-6)22-5-10(14,15)16/h2-5H2,1H3,(H,17,18,19,20).
What are the key properties of N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 2267441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).