N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine

C9H10F4N2 — CID 22121159

IUPACN-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCC(C)(C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-9(2,3)15-6-4(10)7(12)14-8(13)5(6)11/h1-3H3,(H,14,15)
InChIKeyQMXGOPYRMLVJHL-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.85
Rot. Bonds1

About N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine

N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 22121159) has the molecular formula C9H10F4N2 and a molecular weight of 222.18 g/mol. Its IUPAC name is N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID22121159
Molecular FormulaC9H10F4N2
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC NameN-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCC(C)(C)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-9(2,3)15-6-4(10)7(12)14-8(13)5(6)11/h1-3H3,(H,14,15)
InChIKeyQMXGOPYRMLVJHL-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine (CID 22121159) is N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine is CC(C)(C)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is QMXGOPYRMLVJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-9(2,3)15-6-4(10)7(12)14-8(13)5(6)11/h1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 222.18 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 22121159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).