2-fluoro-4-methyl-5-methylidenepiperidine

C7H12FN — CID 123470052

IUPAC2-fluoro-4-methyl-5-methylidenepiperidine
SMILESC=C1CNC(F)CC1C
InChIInChI=1S/C7H12FN/c1-5-3-7(8)9-4-6(5)2/h5,7,9H,2-4H2,1H3
InChIKeyMOGBIRBFMWFNJS-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.47
Rot. Bonds

About 2-fluoro-4-methyl-5-methylidenepiperidine

2-fluoro-4-methyl-5-methylidenepiperidine (PubChem CID 123470052) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-methylidenepiperidine.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-methylidenepiperidine
PubChem CID123470052
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-4-methyl-5-methylidenepiperidine
SMILESC=C1CNC(F)CC1C
InChIInChI=1S/C7H12FN/c1-5-3-7(8)9-4-6(5)2/h5,7,9H,2-4H2,1H3
InChIKeyMOGBIRBFMWFNJS-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Fluoromethylene)piperidine
CID 73813441
2-Fluoro-3-methylidenepiperidine
CID 90706861
2-(Fluoromethyl)-5-methylidenepiperidine
CID 90880541
2-Fluoro-5-methyl-3-methylidenepiperidine
CID 90958501
3-Fluoro-5-methylidenepiperidine
CID 91005006
3-Methylidene-4-(trifluoromethyl)piperidine
CID 91066008
4-Fluoro-3-methylidenepiperidine
CID 91085263
2-Fluoro-5-methylidenepiperidine
CID 91148357
2-Fluoro-3-methyl-5-methylidenepiperidine
CID 91268810
3-Fluoro-2-methyl-5-methylidenepiperidine
CID 91280837
6-Fluoro-2-methyl-3-methylidenepiperidine
CID 91301118
3-(Fluoromethyl)-5-methylidenepiperidine
CID 91311017

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-methylidenepiperidine?
The IUPAC name of 2-fluoro-4-methyl-5-methylidenepiperidine (CID 123470052) is 2-fluoro-4-methyl-5-methylidenepiperidine.
What is the SMILES notation for 2-fluoro-4-methyl-5-methylidenepiperidine?
The canonical SMILES for 2-fluoro-4-methyl-5-methylidenepiperidine is C=C1CNC(F)CC1C.
What is the InChIKey of 2-fluoro-4-methyl-5-methylidenepiperidine?
The InChIKey is MOGBIRBFMWFNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-7(8)9-4-6(5)2/h5,7,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-methyl-5-methylidenepiperidine?
2-fluoro-4-methyl-5-methylidenepiperidine has a molecular weight of 129.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-methylidenepiperidine is sourced from PubChem (CID 123470052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).