3,5,6-trifluoro-1,2-dihydropyridin-2-amine

C5H5F3N2 — CID 18367513

IUPAC3,5,6-trifluoro-1,2-dihydropyridin-2-amine
SMILESNC1NC(F)=C(F)C=C1F
InChIInChI=1S/C5H5F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1,5,10H,9H2
InChIKeyPCZDGHRPACEQKC-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.84
Rot. Bonds

About 3,5,6-trifluoro-1,2-dihydropyridin-2-amine

3,5,6-trifluoro-1,2-dihydropyridin-2-amine (PubChem CID 18367513) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 3,5,6-trifluoro-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-1,2-dihydropyridin-2-amine
PubChem CID18367513
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name3,5,6-trifluoro-1,2-dihydropyridin-2-amine
SMILESNC1NC(F)=C(F)C=C1F
InChIInChI=1S/C5H5F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1,5,10H,9H2
InChIKeyPCZDGHRPACEQKC-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-1,2-dihydropyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-1,2-dihydropyridin-2-amine (CID 18367513) is 3,5,6-trifluoro-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-1,2-dihydropyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-1,2-dihydropyridin-2-amine is NC1NC(F)=C(F)C=C1F.
What is the InChIKey of 3,5,6-trifluoro-1,2-dihydropyridin-2-amine?
The InChIKey is PCZDGHRPACEQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-2-1-3(7)5(9)10-4(2)8/h1,5,10H,9H2.
What are the key properties of 3,5,6-trifluoro-1,2-dihydropyridin-2-amine?
3,5,6-trifluoro-1,2-dihydropyridin-2-amine has a molecular weight of 150.10 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 18367513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).