(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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Related Compounds

(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(4S)-N,N,4-trimethylpyrrolidin-3-amine
CID 142439406
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
(3S,4S)-3-fluoro-4-methylpyrrolidine
CID 118447015
ethane;(4S)-3-fluoro-4-methylpyrrolidine
CID 177212529
ethane;3-fluoro-4-methylpyrrolidine
CID 144862770
(2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine
CID 158852291
3-fluoro-4-methoxypyrrolidine
CID 22603647
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
CID 154810015
(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
CID 167714876
1-(4-fluoropyrrolidin-3-yl)ethanamine
CID 57015274

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).