3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine

Name: 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉F₂N₂P — CID 155416854

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine

SMILESCCC1C=C(C(F)(F)P)C=NC1CCCN

InChIInChI=1S/C11H19F2N2P/c1-2-8-6-9(11(12,13)16)7-15-10(8)4-3-5-14/h6-8,10H,2-5,14,16H2,1H3

InChIKeyAKIGTJFGZUHLPS-UHFFFAOYSA-N

MW248.26 g/mol

LogP2.60

Rot. Bonds5

About 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine

3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine (PubChem CID 155416854) has the molecular formula C₁₁H₁₉F₂N₂P and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine.

Molecular Properties

Compound Name	3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine
PubChem CID	155416854
Molecular Formula	C₁₁H₁₉F₂N₂P
Molecular Weight	248.26 g/mol
Exact Mass	248.13
IUPAC Name	3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine
SMILES	CCC1C=C(C(F)(F)P)C=NC1CCCN
InChI	InChI=1S/C11H19F2N2P/c1-2-8-6-9(11(12,13)16)7-15-10(8)4-3-5-14/h6-8,10H,2-5,14,16H2,1H3
InChIKey	AKIGTJFGZUHLPS-UHFFFAOYSA-N
XLogP	2.60
TPSA	38.38 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.26
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine?

The IUPAC name of 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine (CID 155416854) is 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine.

What is the SMILES notation for 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine?

The canonical SMILES for 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine is CCC1C=C(C(F)(F)P)C=NC1CCCN.

What is the InChIKey of 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine?

The InChIKey is AKIGTJFGZUHLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N2P/c1-2-8-6-9(11(12,13)16)7-15-10(8)4-3-5-14/h6-8,10H,2-5,14,16H2,1H3.

What are the key properties of 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine?

3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine has a molecular weight of 248.26 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine is sourced from PubChem (CID 155416854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155416854 — identifiers, structure, computed properties (public domain)

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