6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine

C10H8F11N5O — CID 14512673

IUPAC6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H8F11N5O/c11-6(12,2-1-3-24-4(22)26-5(23)25-3)10(20,21)27-7(13,8(14,15)16)9(17,18)19/h1-2H2,(H4,22,23,24,25,26)
InChIKeyIVNJMEGULMEZDY-UHFFFAOYSA-N
MW423.19 g/mol
LogP3.00
Rot. Bonds6

About 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine

6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 14512673) has the molecular formula C10H8F11N5O and a molecular weight of 423.19 g/mol. Its IUPAC name is 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID14512673
Molecular FormulaC10H8F11N5O
Molecular Weight423.19 g/mol
Exact Mass423.06
IUPAC Name6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C10H8F11N5O/c11-6(12,2-1-3-24-4(22)26-5(23)25-3)10(20,21)27-7(13,8(14,15)16)9(17,18)19/h1-2H2,(H4,22,23,24,25,26)
InChIKeyIVNJMEGULMEZDY-UHFFFAOYSA-N
XLogP3.00
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine 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 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine (CID 14512673) is 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IVNJMEGULMEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11N5O/c11-6(12,2-1-3-24-4(22)26-5(23)25-3)10(20,21)27-7(13,8(14,15)16)9(17,18)19/h1-2H2,(H4,22,23,24,25,26).
What are the key properties of 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine?
6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 423.19 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3,4,4-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).