4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine

C19H24F12N4O2 — CID 2827276

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine
SMILESCCCCCN(CCCCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C19H24F12N4O2/c1-3-5-7-9-35(10-8-6-4-2)13-32-14(36-11(16(20,21)22)17(23,24)25)34-15(33-13)37-12(18(26,27)28)19(29,30)31/h11-12H,3-10H2,1-2H3
InChIKeyFTMBKMVAPCSQJG-UHFFFAOYSA-N
MW568.40 g/mol
LogP6.80
Rot. Bonds13

About 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine (PubChem CID 2827276) has the molecular formula C19H24F12N4O2 and a molecular weight of 568.40 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine
PubChem CID2827276
Molecular FormulaC19H24F12N4O2
Molecular Weight568.40 g/mol
Exact Mass568.17
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine
SMILESCCCCCN(CCCCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C19H24F12N4O2/c1-3-5-7-9-35(10-8-6-4-2)13-32-14(36-11(16(20,21)22)17(23,24)25)34-15(33-13)37-12(18(26,27)28)19(29,30)31/h11-12H,3-10H2,1-2H3
InChIKeyFTMBKMVAPCSQJG-UHFFFAOYSA-N
XLogP6.80
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.40
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(1-piperidyl)-
CID 550156
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
2-(Piperidin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 1116172
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N,N-dipropyl-1,3,5-triazin-2-amine
CID 3942684
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
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2827320
4-chloro-N,N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 129286205
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 175232804
4-(1-piperidinyl)-N-propyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 2192487
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 2192544

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine (CID 2827276) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine is CCCCCN(CCCCC)c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine?
The InChIKey is FTMBKMVAPCSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F12N4O2/c1-3-5-7-9-35(10-8-6-4-2)13-32-14(36-11(16(20,21)22)17(23,24)25)34-15(33-13)37-12(18(26,27)28)19(29,30)31/h11-12H,3-10H2,1-2H3.
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine has a molecular weight of 568.40 g/mol, XLogP of 6.80, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dipentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2827276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).