5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine

C7H7F7N4 — CID 11185092

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C7H7F7N4/c1-15-4-16-3(18(2)17-4)5(8,9)6(10,11)7(12,13)14/h1-2H3,(H,15,17)
InChIKeyCOXLELXARHOAAF-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.15
Rot. Bonds3

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine

5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine (PubChem CID 11185092) has the molecular formula C7H7F7N4 and a molecular weight of 280.15 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine
PubChem CID11185092
Molecular FormulaC7H7F7N4
Molecular Weight280.15 g/mol
Exact Mass280.06
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1
InChIInChI=1S/C7H7F7N4/c1-15-4-16-3(18(2)17-4)5(8,9)6(10,11)7(12,13)14/h1-2H3,(H,15,17)
InChIKeyCOXLELXARHOAAF-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine (CID 11185092) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine is CNc1nc(C(F)(F)C(F)(F)C(F)(F)F)n(C)n1.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is COXLELXARHOAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7N4/c1-15-4-16-3(18(2)17-4)5(8,9)6(10,11)7(12,13)14/h1-2H3,(H,15,17).
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 280.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-N,1-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 11185092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).