N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine

C18H20F2N2 — CID 88711202

IUPACN-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine
SMILESFN(N1CCCCC1)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20F2N2/c19-18(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(20)21-14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyNMOYHZJXVPCPJE-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.44
Rot. Bonds4

About N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine

N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine (PubChem CID 88711202) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine
PubChem CID88711202
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine
SMILESFN(N1CCCCC1)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20F2N2/c19-18(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(20)21-14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyNMOYHZJXVPCPJE-UHFFFAOYSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine?
The IUPAC name of N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine (CID 88711202) is N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine.
What is the SMILES notation for N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine?
The canonical SMILES for N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine is FN(N1CCCCC1)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine?
The InChIKey is NMOYHZJXVPCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c19-18(16-10-4-1-5-11-16,17-12-6-2-7-13-17)22(20)21-14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine?
N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine has a molecular weight of 302.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[fluoro(diphenyl)methyl]piperidin-1-amine is sourced from PubChem (CID 88711202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).