(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine

C9H16FN — CID 155741615

IUPAC(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine
SMILESC=CC1CNC[C@](C)(CF)C1
InChIInChI=1S/C9H16FN/c1-3-8-4-9(2,6-10)7-11-5-8/h3,8,11H,1,4-7H2,2H3/t8?,9-/m0/s1
InChIKeyPSAAZEYGZCNMHC-GKAPJAKFSA-N
MW157.23 g/mol
LogP1.76
Rot. Bonds2

About (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine

(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine (PubChem CID 155741615) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine
PubChem CID155741615
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine
SMILESC=CC1CNC[C@](C)(CF)C1
InChIInChI=1S/C9H16FN/c1-3-8-4-9(2,6-10)7-11-5-8/h3,8,11H,1,4-7H2,2H3/t8?,9-/m0/s1
InChIKeyPSAAZEYGZCNMHC-GKAPJAKFSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine?
The IUPAC name of (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine (CID 155741615) is (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine.
What is the SMILES notation for (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine?
The canonical SMILES for (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine is C=CC1CNC[C@](C)(CF)C1.
What is the InChIKey of (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine?
The InChIKey is PSAAZEYGZCNMHC-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-8-4-9(2,6-10)7-11-5-8/h3,8,11H,1,4-7H2,2H3/t8?,9-/m0/s1.
What are the key properties of (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine?
(3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethenyl-3-(fluoromethyl)-3-methylpiperidine is sourced from PubChem (CID 155741615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).