tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate

C11H18FNO2 — CID 53302091

IUPACtert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C11H18FNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h9H,1,5-7H2,2-4H3
InChIKeyFHMOJENFEWBNDZ-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.52
Rot. Bonds

About tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate

tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate (PubChem CID 53302091) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate
PubChem CID53302091
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Nametert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C11H18FNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h9H,1,5-7H2,2-4H3
InChIKeyFHMOJENFEWBNDZ-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate (CID 53302091) is tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate is C=C1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate?
The InChIKey is FHMOJENFEWBNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8-5-6-13(7-9(8)12)10(14)15-11(2,3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate?
tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate has a molecular weight of 215.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-methylidenepiperidine-1-carboxylate is sourced from PubChem (CID 53302091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).