(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine

C9H16FN — CID 155399388

IUPAC(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CNC[C@@H](CF)C1
InChIInChI=1S/C9H16FN/c1-7(2)9-3-8(4-10)5-11-6-9/h8-9,11H,1,3-6H2,2H3/t8-,9?/m1/s1
InChIKeyHLHKWVMYYDSVIH-VEDVMXKPSA-N
MW157.23 g/mol
LogP1.76
Rot. Bonds2

About (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine

(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine (PubChem CID 155399388) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
PubChem CID155399388
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CNC[C@@H](CF)C1
InChIInChI=1S/C9H16FN/c1-7(2)9-3-8(4-10)5-11-6-9/h8-9,11H,1,3-6H2,2H3/t8-,9?/m1/s1
InChIKeyHLHKWVMYYDSVIH-VEDVMXKPSA-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 (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine?
The IUPAC name of (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine (CID 155399388) is (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine is C=C(C)C1CNC[C@@H](CF)C1.
What is the InChIKey of (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine?
The InChIKey is HLHKWVMYYDSVIH-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)9-3-8(4-10)5-11-6-9/h8-9,11H,1,3-6H2,2H3/t8-,9?/m1/s1.
What are the key properties of (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine?
(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine 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 (3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 155399388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).