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

C11H2F18N4 — CID 549779

IUPAC4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H2F18N4/c12-6(13,14)4(7(15,16)17,8(18,19)20)1-31-2(33-3(30)32-1)5(9(21,22)23,10(24,25)26)11(27,28)29/h(H2,30,31,32,33)
InChIKeyTYXITMBLEVNKTM-UHFFFAOYSA-N
MW532.13 g/mol
LogP5.30
Rot. Bonds2

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

4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 549779) has the molecular formula C11H2F18N4 and a molecular weight of 532.13 g/mol. Its IUPAC name is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
PubChem CID549779
Molecular FormulaC11H2F18N4
Molecular Weight532.13 g/mol
Exact Mass532.00
IUPAC Name4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H2F18N4/c12-6(13,14)4(7(15,16)17,8(18,19)20)1-31-2(33-3(30)32-1)5(9(21,22)23,10(24,25)26)11(27,28)29/h(H2,30,31,32,33)
InChIKeyTYXITMBLEVNKTM-UHFFFAOYSA-N
XLogP5.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.13
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine (CID 549779) is 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is Nc1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is TYXITMBLEVNKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2F18N4/c12-6(13,14)4(7(15,16)17,8(18,19)20)1-31-2(33-3(30)32-1)5(9(21,22)23,10(24,25)26)11(27,28)29/h(H2,30,31,32,33).
What are the key properties of 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine?
4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 532.13 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 549779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).