[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine

C13H22F2N3P — CID 143305027

IUPAC[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine
SMILESCCc1cccc(N)n1.FC(F)(P)C1CCNCC1
InChIInChI=1S/C7H10N2.C6H12F2NP/c1-2-6-4-3-5-7(8)9-6;7-6(8,10)5-1-3-9-4-2-5/h3-5H,2H2,1H3,(H2,8,9);5,9H,1-4,10H2
InChIKeyYJSRIHDBEOPLLI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.68
Rot. Bonds2

About [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine

[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine (PubChem CID 143305027) has the molecular formula C13H22F2N3P and a molecular weight of 289.31 g/mol. Its IUPAC name is [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine.

Molecular Properties

Compound Name[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine
PubChem CID143305027
Molecular FormulaC13H22F2N3P
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine
SMILESCCc1cccc(N)n1.FC(F)(P)C1CCNCC1
InChIInChI=1S/C7H10N2.C6H12F2NP/c1-2-6-4-3-5-7(8)9-6;7-6(8,10)5-1-3-9-4-2-5/h3-5H,2H2,1H3,(H2,8,9);5,9H,1-4,10H2
InChIKeyYJSRIHDBEOPLLI-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine?
The IUPAC name of [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine (CID 143305027) is [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine.
What is the SMILES notation for [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine?
The canonical SMILES for [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine is CCc1cccc(N)n1.FC(F)(P)C1CCNCC1.
What is the InChIKey of [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine?
The InChIKey is YJSRIHDBEOPLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H12F2NP/c1-2-6-4-3-5-7(8)9-6;7-6(8,10)5-1-3-9-4-2-5/h3-5H,2H2,1H3,(H2,8,9);5,9H,1-4,10H2.
What are the key properties of [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine?
[difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine has a molecular weight of 289.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(piperidin-4-yl)methyl]phosphane;6-ethylpyridin-2-amine is sourced from PubChem (CID 143305027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).