3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine

C16H15F3N2 — CID 123902052

IUPAC3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCC=C(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C16H15F3N2/c1-3-11(2)13-9-10-14(16(17,18)19)21-15(13)20-12-7-5-4-6-8-12/h3-10H,1-2H3,(H,20,21)
InChIKeyJFRIOZQBSBIIHQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP5.27
Rot. Bonds3

About 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine

3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 123902052) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID123902052
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCC=C(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1
InChIInChI=1S/C16H15F3N2/c1-3-11(2)13-9-10-14(16(17,18)19)21-15(13)20-12-7-5-4-6-8-12/h3-10H,1-2H3,(H,20,21)
InChIKeyJFRIOZQBSBIIHQ-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine (CID 123902052) is 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine is CC=C(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1.
What is the InChIKey of 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JFRIOZQBSBIIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-3-11(2)13-9-10-14(16(17,18)19)21-15(13)20-12-7-5-4-6-8-12/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine?
3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.30 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123902052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).