3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine

C11H21FN2 — CID 162741953

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine
SMILESCC1C(CN2CCC(F)C2)CCN1C
InChIInChI=1S/C11H21FN2/c1-9-10(3-5-13(9)2)7-14-6-4-11(12)8-14/h9-11H,3-8H2,1-2H3
InChIKeyJNHXZXWAKGUXAI-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds2

About 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine

3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine (PubChem CID 162741953) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine
PubChem CID162741953
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine
SMILESCC1C(CN2CCC(F)C2)CCN1C
InChIInChI=1S/C11H21FN2/c1-9-10(3-5-13(9)2)7-14-6-4-11(12)8-14/h9-11H,3-8H2,1-2H3
InChIKeyJNHXZXWAKGUXAI-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 162982738
1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 58400596
3-Ethyl-4-fluoro-1-propan-2-ylpyrrolidine
CID 117904749
3-Fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine
CID 123743172
(3R)-3-(1-fluoroethyl)-1-propan-2-ylpyrrolidine
CID 124098070
(3S)-3-(1-fluoroethyl)-1-propan-2-ylpyrrolidine
CID 124098073
(3S,4R)-1-ethyl-4-fluoro-2,3-dimethylpyrrolidine
CID 126648024
1-(3-Fluoropropyl)-2,3-dimethylpyrrolidine
CID 127498126
1-(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 130191614
1-(2,2-Difluoroethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 130719293
2-(2-Fluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
CID 131107520
1-(1-fluoro-2-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 132047185

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine (CID 162741953) is 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine is CC1C(CN2CCC(F)C2)CCN1C.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine?
The InChIKey is JNHXZXWAKGUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-9-10(3-5-13(9)2)7-14-6-4-11(12)8-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine?
3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine has a molecular weight of 200.30 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]-1,2-dimethylpyrrolidine is sourced from PubChem (CID 162741953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).