4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine

C10H10F7N5O — CID 174940193

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESNc1nc(C2CNCCO2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10F7N5O/c11-8(12,9(13,14)10(15,16)17)6-20-5(21-7(18)22-6)4-3-19-1-2-23-4/h4,19H,1-3H2,(H2,18,20,21,22)
InChIKeyAWOQXQUGZQBKFW-UHFFFAOYSA-N
MW349.21 g/mol
LogP1.40
Rot. Bonds3

About 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine

4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine (PubChem CID 174940193) has the molecular formula C10H10F7N5O and a molecular weight of 349.21 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine
PubChem CID174940193
Molecular FormulaC10H10F7N5O
Molecular Weight349.21 g/mol
Exact Mass349.08
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESNc1nc(C2CNCCO2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H10F7N5O/c11-8(12,9(13,14)10(15,16)17)6-20-5(21-7(18)22-6)4-3-19-1-2-23-4/h4,19H,1-3H2,(H2,18,20,21,22)
InChIKeyAWOQXQUGZQBKFW-UHFFFAOYSA-N
XLogP1.40
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine (CID 174940193) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine is Nc1nc(C2CNCCO2)nc(C(F)(F)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is AWOQXQUGZQBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7N5O/c11-8(12,9(13,14)10(15,16)17)6-20-5(21-7(18)22-6)4-3-19-1-2-23-4/h4,19H,1-3H2,(H2,18,20,21,22).
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine?
4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 349.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 174940193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).