3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine

C10H19FN2 — CID 164657937

IUPAC3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
SMILESC[C@@H]1CNC[C@H]1CN1CCC(F)C1
InChIInChI=1S/C10H19FN2/c1-8-4-12-5-9(8)6-13-3-2-10(11)7-13/h8-10,12H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyCMGSJXUQHUUWGW-ZDGBYWQASA-N
MW186.27 g/mol
LogP0.89
Rot. Bonds2

About 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine

3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine (PubChem CID 164657937) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
PubChem CID164657937
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
SMILESC[C@@H]1CNC[C@H]1CN1CCC(F)C1
InChIInChI=1S/C10H19FN2/c1-8-4-12-5-9(8)6-13-3-2-10(11)7-13/h8-10,12H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyCMGSJXUQHUUWGW-ZDGBYWQASA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylpyrrolidin-3-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 164650694
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 63714384
3,3-difluoro-1-[(4-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 130646465
1-[(4-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 63714372
4-ethyl-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 63715030
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
3-[(3-methoxy-3-methylazetidin-1-yl)methyl]-4-methylpyrrolidine
CID 130848466
1-(4-fluorophenyl)-4-[[(4R)-4-methylpyrrolidin-3-yl]methyl]-1,4-diazepane
CID 142524325

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine (CID 164657937) is 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine is C[C@@H]1CNC[C@H]1CN1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine?
The InChIKey is CMGSJXUQHUUWGW-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H19FN2/c1-8-4-12-5-9(8)6-13-3-2-10(11)7-13/h8-10,12H,2-7H2,1H3/t8-,9+,10?/m1/s1.
What are the key properties of 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine?
3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine has a molecular weight of 186.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine is sourced from PubChem (CID 164657937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).