2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine

C9H19FN2 — CID 112566925

IUPAC2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine
SMILESCC(C)C(F)(CN)C1CCCN1
InChIInChI=1S/C9H19FN2/c1-7(2)9(10,6-11)8-4-3-5-12-8/h7-8,12H,3-6,11H2,1-2H3
InChIKeyOKUKZJUOIZACPP-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.06
Rot. Bonds3

About 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine

2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine (PubChem CID 112566925) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine
PubChem CID112566925
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine
SMILESCC(C)C(F)(CN)C1CCCN1
InChIInChI=1S/C9H19FN2/c1-7(2)9(10,6-11)8-4-3-5-12-8/h7-8,12H,3-6,11H2,1-2H3
InChIKeyOKUKZJUOIZACPP-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine (CID 112566925) is 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine is CC(C)C(F)(CN)C1CCCN1.
What is the InChIKey of 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine?
The InChIKey is OKUKZJUOIZACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)9(10,6-11)8-4-3-5-12-8/h7-8,12H,3-6,11H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine?
2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-pyrrolidin-2-ylbutan-1-amine is sourced from PubChem (CID 112566925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).