4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine

C15H8F18N4O — CID 549881

IUPAC4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(c1nc(N2CCOCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H8F18N4O/c16-10(17,18)8(11(19,20)21,12(22,23)24)5-34-6(36-7(35-5)37-1-3-38-4-2-37)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-4H2
InChIKeyGYLZFEIRCPTBRZ-UHFFFAOYSA-N
MW602.22 g/mol
LogP5.56
Rot. Bonds3

About 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine

4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 549881) has the molecular formula C15H8F18N4O and a molecular weight of 602.22 g/mol. Its IUPAC name is 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID549881
Molecular FormulaC15H8F18N4O
Molecular Weight602.22 g/mol
Exact Mass602.04
IUPAC Name4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C(c1nc(N2CCOCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H8F18N4O/c16-10(17,18)8(11(19,20)21,12(22,23)24)5-34-6(36-7(35-5)37-1-3-38-4-2-37)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-4H2
InChIKeyGYLZFEIRCPTBRZ-UHFFFAOYSA-N
XLogP5.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.22
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine (CID 549881) is 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine is FC(F)(F)C(c1nc(N2CCOCC2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is GYLZFEIRCPTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F18N4O/c16-10(17,18)8(11(19,20)21,12(22,23)24)5-34-6(36-7(35-5)37-1-3-38-4-2-37)9(13(25,26)27,14(28,29)30)15(31,32)33/h1-4H2.
What are the key properties of 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 602.22 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 549881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).