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

C9H19FN2 — CID 105435897

IUPAC3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
SMILESCNCCC(C)(F)C1CCNC1
InChIInChI=1S/C9H19FN2/c1-9(10,4-6-11-2)8-3-5-12-7-8/h8,11-12H,3-7H2,1-2H3
InChIKeyHRYGLRAUFJWOJG-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.93
Rot. Bonds4

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

3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine (PubChem CID 105435897) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
PubChem CID105435897
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
SMILESCNCCC(C)(F)C1CCNC1
InChIInChI=1S/C9H19FN2/c1-9(10,4-6-11-2)8-3-5-12-7-8/h8,11-12H,3-7H2,1-2H3
InChIKeyHRYGLRAUFJWOJG-UHFFFAOYSA-N
XLogP0.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine (CID 105435897) is 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine is CNCCC(C)(F)C1CCNC1.
What is the InChIKey of 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine?
The InChIKey is HRYGLRAUFJWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(10,4-6-11-2)8-3-5-12-7-8/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine?
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine is sourced from PubChem (CID 105435897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).