2-(fluoromethyl)-5-methylidenepiperidine

C7H12FN — CID 90880541

IUPAC2-(fluoromethyl)-5-methylidenepiperidine
SMILESC=C1CCC(CF)NC1
InChIInChI=1S/C7H12FN/c1-6-2-3-7(4-8)9-5-6/h7,9H,1-5H2
InChIKeyRVMGHKYKUQRUKZ-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.26
Rot. Bonds1

About 2-(fluoromethyl)-5-methylidenepiperidine

2-(fluoromethyl)-5-methylidenepiperidine (PubChem CID 90880541) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-methylidenepiperidine.

Molecular Properties

Compound Name2-(fluoromethyl)-5-methylidenepiperidine
PubChem CID90880541
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-(fluoromethyl)-5-methylidenepiperidine
SMILESC=C1CCC(CF)NC1
InChIInChI=1S/C7H12FN/c1-6-2-3-7(4-8)9-5-6/h7,9H,1-5H2
InChIKeyRVMGHKYKUQRUKZ-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.26
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 2-(fluoromethyl)-5-methylidenepiperidine?
The IUPAC name of 2-(fluoromethyl)-5-methylidenepiperidine (CID 90880541) is 2-(fluoromethyl)-5-methylidenepiperidine.
What is the SMILES notation for 2-(fluoromethyl)-5-methylidenepiperidine?
The canonical SMILES for 2-(fluoromethyl)-5-methylidenepiperidine is C=C1CCC(CF)NC1.
What is the InChIKey of 2-(fluoromethyl)-5-methylidenepiperidine?
The InChIKey is RVMGHKYKUQRUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6-2-3-7(4-8)9-5-6/h7,9H,1-5H2.
What are the key properties of 2-(fluoromethyl)-5-methylidenepiperidine?
2-(fluoromethyl)-5-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-methylidenepiperidine is sourced from PubChem (CID 90880541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).