2-fluoro-5-methyl-3-methylidenepiperidine

C7H12FN — CID 90958501

IUPAC2-fluoro-5-methyl-3-methylidenepiperidine
SMILESC=C1CC(C)CNC1F
InChIInChI=1S/C7H12FN/c1-5-3-6(2)7(8)9-4-5/h5,7,9H,2-4H2,1H3
InChIKeyOACLIYTYIMHNKM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.47
Rot. Bonds

About 2-fluoro-5-methyl-3-methylidenepiperidine

2-fluoro-5-methyl-3-methylidenepiperidine (PubChem CID 90958501) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-methylidenepiperidine
PubChem CID90958501
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-fluoro-5-methyl-3-methylidenepiperidine
SMILESC=C1CC(C)CNC1F
InChIInChI=1S/C7H12FN/c1-5-3-6(2)7(8)9-4-5/h5,7,9H,2-4H2,1H3
InChIKeyOACLIYTYIMHNKM-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-methylidenepiperidine?
The IUPAC name of 2-fluoro-5-methyl-3-methylidenepiperidine (CID 90958501) is 2-fluoro-5-methyl-3-methylidenepiperidine.
What is the SMILES notation for 2-fluoro-5-methyl-3-methylidenepiperidine?
The canonical SMILES for 2-fluoro-5-methyl-3-methylidenepiperidine is C=C1CC(C)CNC1F.
What is the InChIKey of 2-fluoro-5-methyl-3-methylidenepiperidine?
The InChIKey is OACLIYTYIMHNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-3-6(2)7(8)9-4-5/h5,7,9H,2-4H2,1H3.
What are the key properties of 2-fluoro-5-methyl-3-methylidenepiperidine?
2-fluoro-5-methyl-3-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-5-methyl-3-methylidenepiperidine is sourced from PubChem (CID 90958501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).