3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine

C8H15FN2 — CID 112564111

IUPAC3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine
SMILESNC1CC(F)(C2CCCN2)C1
InChIInChI=1S/C8H15FN2/c9-8(4-6(10)5-8)7-2-1-3-11-7/h6-7,11H,1-5,10H2
InChIKeyXFYMPRQHGFYZEL-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.57
Rot. Bonds1

About 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine

3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine (PubChem CID 112564111) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine
PubChem CID112564111
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine
SMILESNC1CC(F)(C2CCCN2)C1
InChIInChI=1S/C8H15FN2/c9-8(4-6(10)5-8)7-2-1-3-11-7/h6-7,11H,1-5,10H2
InChIKeyXFYMPRQHGFYZEL-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine (CID 112564111) is 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine is NC1CC(F)(C2CCCN2)C1.
What is the InChIKey of 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine?
The InChIKey is XFYMPRQHGFYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8(4-6(10)5-8)7-2-1-3-11-7/h6-7,11H,1-5,10H2.
What are the key properties of 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine?
3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine is sourced from PubChem (CID 112564111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).