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

C11H19F2N2P — CID 155416854

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 Name3-[5-[difluoro(phosphanyl)methyl]-3-ethyl-2,3-dihydropyridin-2-yl]propan-1-amine
PubChem CID155416854
Molecular FormulaC11H19F2N2P
Molecular Weight248.26 g/mol
Exact Mass248.13
IUPAC Name3-[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
XLogP2.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).