2-cyclobutyl-4-fluoro-2-methylpyrrolidine

C9H16FN — CID 115012284

IUPAC2-cyclobutyl-4-fluoro-2-methylpyrrolidine
SMILESCC1(C2CCC2)CC(F)CN1
InChIInChI=1S/C9H16FN/c1-9(7-3-2-4-7)5-8(10)6-11-9/h7-8,11H,2-6H2,1H3
InChIKeyNVJNQZGMHNZOPJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.88
Rot. Bonds1

About 2-cyclobutyl-4-fluoro-2-methylpyrrolidine

2-cyclobutyl-4-fluoro-2-methylpyrrolidine (PubChem CID 115012284) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-cyclobutyl-4-fluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name2-cyclobutyl-4-fluoro-2-methylpyrrolidine
PubChem CID115012284
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-cyclobutyl-4-fluoro-2-methylpyrrolidine
SMILESCC1(C2CCC2)CC(F)CN1
InChIInChI=1S/C9H16FN/c1-9(7-3-2-4-7)5-8(10)6-11-9/h7-8,11H,2-6H2,1H3
InChIKeyNVJNQZGMHNZOPJ-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-fluoro-2-methylpyrrolidine?
The IUPAC name of 2-cyclobutyl-4-fluoro-2-methylpyrrolidine (CID 115012284) is 2-cyclobutyl-4-fluoro-2-methylpyrrolidine.
What is the SMILES notation for 2-cyclobutyl-4-fluoro-2-methylpyrrolidine?
The canonical SMILES for 2-cyclobutyl-4-fluoro-2-methylpyrrolidine is CC1(C2CCC2)CC(F)CN1.
What is the InChIKey of 2-cyclobutyl-4-fluoro-2-methylpyrrolidine?
The InChIKey is NVJNQZGMHNZOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(7-3-2-4-7)5-8(10)6-11-9/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-cyclobutyl-4-fluoro-2-methylpyrrolidine?
2-cyclobutyl-4-fluoro-2-methylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-fluoro-2-methylpyrrolidine is sourced from PubChem (CID 115012284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).