4-fluoro-N,N-dimethylpyrrolidin-3-amine

C6H13FN2 — CID 54355922

IUPAC4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CNCC1F
InChIInChI=1S/C6H13FN2/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4H2,1-2H3
InChIKeyAYFDWGKNWTZXFX-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.14
Rot. Bonds1

About 4-fluoro-N,N-dimethylpyrrolidin-3-amine

4-fluoro-N,N-dimethylpyrrolidin-3-amine (PubChem CID 54355922) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-N,N-dimethylpyrrolidin-3-amine
PubChem CID54355922
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CNCC1F
InChIInChI=1S/C6H13FN2/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4H2,1-2H3
InChIKeyAYFDWGKNWTZXFX-UHFFFAOYSA-N
XLogP-0.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-N,N-dimethylpyrrolidin-3-amine (CID 54355922) is 4-fluoro-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CNCC1F.
What is the InChIKey of 4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is AYFDWGKNWTZXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethylpyrrolidin-3-amine?
4-fluoro-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 132.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 54355922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).