N,N,2-trifluoro-2,3-dihydropyridin-4-amine

C5H5F3N2 — CID 45090483

IUPACN,N,2-trifluoro-2,3-dihydropyridin-4-amine
SMILESFC1CC(N(F)F)=CC=N1
InChIInChI=1S/C5H5F3N2/c6-5-3-4(10(7)8)1-2-9-5/h1-2,5H,3H2
InChIKeyGHZQQNZVMGXSLO-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.71
Rot. Bonds1

About N,N,2-trifluoro-2,3-dihydropyridin-4-amine

N,N,2-trifluoro-2,3-dihydropyridin-4-amine (PubChem CID 45090483) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is N,N,2-trifluoro-2,3-dihydropyridin-4-amine.

Molecular Properties

Compound NameN,N,2-trifluoro-2,3-dihydropyridin-4-amine
PubChem CID45090483
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC NameN,N,2-trifluoro-2,3-dihydropyridin-4-amine
SMILESFC1CC(N(F)F)=CC=N1
InChIInChI=1S/C5H5F3N2/c6-5-3-4(10(7)8)1-2-9-5/h1-2,5H,3H2
InChIKeyGHZQQNZVMGXSLO-UHFFFAOYSA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trifluoro-2,3-dihydropyridin-4-amine?
The IUPAC name of N,N,2-trifluoro-2,3-dihydropyridin-4-amine (CID 45090483) is N,N,2-trifluoro-2,3-dihydropyridin-4-amine.
What is the SMILES notation for N,N,2-trifluoro-2,3-dihydropyridin-4-amine?
The canonical SMILES for N,N,2-trifluoro-2,3-dihydropyridin-4-amine is FC1CC(N(F)F)=CC=N1.
What is the InChIKey of N,N,2-trifluoro-2,3-dihydropyridin-4-amine?
The InChIKey is GHZQQNZVMGXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5-3-4(10(7)8)1-2-9-5/h1-2,5H,3H2.
What are the key properties of N,N,2-trifluoro-2,3-dihydropyridin-4-amine?
N,N,2-trifluoro-2,3-dihydropyridin-4-amine has a molecular weight of 150.10 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trifluoro-2,3-dihydropyridin-4-amine is sourced from PubChem (CID 45090483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).