(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride

C6H15Cl2FN2 — CID 154804794

IUPAC(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@@H]1CNC[C@@H]1F.Cl.Cl
InChIInChI=1S/C6H13FN2.2ClH/c1-9(2)6-4-8-3-5(6)7;;/h5-6,8H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1
InChIKeyWNRYXXDNFQVSNL-KXSOTYCDSA-N
MW205.10 g/mol
LogP0.70
Rot. Bonds1

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

(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride (PubChem CID 154804794) has the molecular formula C6H15Cl2FN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
PubChem CID154804794
Molecular FormulaC6H15Cl2FN2
Molecular Weight205.10 g/mol
Exact Mass204.06
IUPAC Name(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride
SMILESCN(C)[C@@H]1CNC[C@@H]1F.Cl.Cl
InChIInChI=1S/C6H13FN2.2ClH/c1-9(2)6-4-8-3-5(6)7;;/h5-6,8H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1
InChIKeyWNRYXXDNFQVSNL-KXSOTYCDSA-N
XLogP0.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Ethylamino)pyrrolidine
CID 14280900
3-(Dimethylamino)pyrrolidine
CID 2758519
3-Aminopyrrolidine dihydrochloride
CID 16212596
3-(Diethylamino)pyrrolidine
CID 19961995
(3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 53487164
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-(2,2-Difluoroethyl)pyrrolidin-3-amine
CID 62067703
1-Methylpyrrolidin-3-amine
CID 18940396
N,1-dimethylpyrrolidin-3-amine
CID 2758520
(3R)-(+)-3-(Dimethylamino)pyrrolidine
CID 2758521
(3S)-(-)-3-(Dimethylamino)pyrrolidine
CID 7019156
Methyl-((R)-1-methylpyrrolidin-3-yl)amine
CID 7154260

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride (CID 154804794) is (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride is CN(C)[C@@H]1CNC[C@@H]1F.Cl.Cl.
What is the InChIKey of (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is WNRYXXDNFQVSNL-KXSOTYCDSA-N. The full InChI is InChI=1S/C6H13FN2.2ClH/c1-9(2)6-4-8-3-5(6)7;;/h5-6,8H,3-4H2,1-2H3;2*1H/t5-,6+;;/m0../s1.
What are the key properties of (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride?
(3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 205.10 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N,N-dimethylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 154804794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).