6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine

C8H10F5N5 — CID 14512658

IUPAC6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H10F5N5/c9-7(10,8(11,12)13)3-1-2-4-16-5(14)18-6(15)17-4/h1-3H2,(H4,14,15,16,17,18)
InChIKeyFALXABXNBSFBFY-UHFFFAOYSA-N
MW271.19 g/mol
LogP1.56
Rot. Bonds4

About 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine

6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14512658) has the molecular formula C8H10F5N5 and a molecular weight of 271.19 g/mol. Its IUPAC name is 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine
PubChem CID14512658
Molecular FormulaC8H10F5N5
Molecular Weight271.19 g/mol
Exact Mass271.09
IUPAC Name6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C8H10F5N5/c9-7(10,8(11,12)13)3-1-2-4-16-5(14)18-6(15)17-4/h1-3H2,(H4,14,15,16,17,18)
InChIKeyFALXABXNBSFBFY-UHFFFAOYSA-N
XLogP1.56
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine (CID 14512658) is 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FALXABXNBSFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N5/c9-7(10,8(11,12)13)3-1-2-4-16-5(14)18-6(15)17-4/h1-3H2,(H4,14,15,16,17,18).
What are the key properties of 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine?
6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 271.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,5,5,5-pentafluoropentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).