5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine

C10H14F3N3 — CID 174640637

IUPAC5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Nc1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16-7-5-15-8(14)4-6(7)10(11,12)13/h4-5,16H,1-3H3,(H2,14,15)
InChIKeyZWIZFZUPSOONAX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.89
Rot. Bonds1

About 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine

5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine (PubChem CID 174640637) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine
PubChem CID174640637
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Nc1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16-7-5-15-8(14)4-6(7)10(11,12)13/h4-5,16H,1-3H3,(H2,14,15)
InChIKeyZWIZFZUPSOONAX-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine (CID 174640637) is 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine is CC(C)(C)Nc1cnc(N)cc1C(F)(F)F.
What is the InChIKey of 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine?
The InChIKey is ZWIZFZUPSOONAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-9(2,3)16-7-5-15-8(14)4-6(7)10(11,12)13/h4-5,16H,1-3H3,(H2,14,15).
What are the key properties of 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine?
5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine has a molecular weight of 233.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine is sourced from PubChem (CID 174640637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).