(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine

C6H13FN2 — CID 99866729

IUPAC(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CNC[C@H]1F
InChIInChI=1S/C6H13FN2/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyAYFDWGKNWTZXFX-PHDIDXHHSA-N
MW132.18 g/mol
LogP-0.14
Rot. Bonds1

About (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine

(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine (PubChem CID 99866729) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine
PubChem CID99866729
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC Name(3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CNC[C@H]1F
InChIInChI=1S/C6H13FN2/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyAYFDWGKNWTZXFX-PHDIDXHHSA-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 (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine (CID 99866729) is (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CNC[C@H]1F.
What is the InChIKey of (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is AYFDWGKNWTZXFX-PHDIDXHHSA-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/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine?
(3R,4R)-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 (3R,4R)-4-fluoro-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 99866729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).