5-(fluoromethyl)-2,3-dihydropyridin-4-amine

C6H9FN2 — CID 129146164

IUPAC5-(fluoromethyl)-2,3-dihydropyridin-4-amine
SMILESNC1=C(CF)C=NCC1
InChIInChI=1S/C6H9FN2/c7-3-5-4-9-2-1-6(5)8/h4H,1-3,8H2
InChIKeyZZBMWYCRDREWCB-UHFFFAOYSA-N
MW128.15 g/mol
LogP0.64
Rot. Bonds1

About 5-(fluoromethyl)-2,3-dihydropyridin-4-amine

5-(fluoromethyl)-2,3-dihydropyridin-4-amine (PubChem CID 129146164) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 5-(fluoromethyl)-2,3-dihydropyridin-4-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-2,3-dihydropyridin-4-amine
PubChem CID129146164
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name5-(fluoromethyl)-2,3-dihydropyridin-4-amine
SMILESNC1=C(CF)C=NCC1
InChIInChI=1S/C6H9FN2/c7-3-5-4-9-2-1-6(5)8/h4H,1-3,8H2
InChIKeyZZBMWYCRDREWCB-UHFFFAOYSA-N
XLogP0.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2,3-dihydropyridin-4-amine?
The IUPAC name of 5-(fluoromethyl)-2,3-dihydropyridin-4-amine (CID 129146164) is 5-(fluoromethyl)-2,3-dihydropyridin-4-amine.
What is the SMILES notation for 5-(fluoromethyl)-2,3-dihydropyridin-4-amine?
The canonical SMILES for 5-(fluoromethyl)-2,3-dihydropyridin-4-amine is NC1=C(CF)C=NCC1.
What is the InChIKey of 5-(fluoromethyl)-2,3-dihydropyridin-4-amine?
The InChIKey is ZZBMWYCRDREWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c7-3-5-4-9-2-1-6(5)8/h4H,1-3,8H2.
What are the key properties of 5-(fluoromethyl)-2,3-dihydropyridin-4-amine?
5-(fluoromethyl)-2,3-dihydropyridin-4-amine has a molecular weight of 128.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2,3-dihydropyridin-4-amine is sourced from PubChem (CID 129146164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).