2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine

C11H16F3N3 — CID 142289192

IUPAC2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine
SMILESCCNc1nc(F)c(F)c(N(CC)CC)c1F
InChIInChI=1S/C11H16F3N3/c1-4-15-11-8(13)9(17(5-2)6-3)7(12)10(14)16-11/h4-6H2,1-3H3,(H,15,16)
InChIKeyBUSXNXOBEVOBEP-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.78
Rot. Bonds5

About 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine

2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine (PubChem CID 142289192) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine
PubChem CID142289192
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine
SMILESCCNc1nc(F)c(F)c(N(CC)CC)c1F
InChIInChI=1S/C11H16F3N3/c1-4-15-11-8(13)9(17(5-2)6-3)7(12)10(14)16-11/h4-6H2,1-3H3,(H,15,16)
InChIKeyBUSXNXOBEVOBEP-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine (CID 142289192) is 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine is CCNc1nc(F)c(F)c(N(CC)CC)c1F.
What is the InChIKey of 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine?
The InChIKey is BUSXNXOBEVOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-4-15-11-8(13)9(17(5-2)6-3)7(12)10(14)16-11/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine?
2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine has a molecular weight of 247.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-triethyl-3,5,6-trifluoropyridine-2,4-diamine is sourced from PubChem (CID 142289192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).