(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine

C9H17FN2 — CID 134177865

IUPAC(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
SMILESCN1CC(CN2CC[C@H](F)C2)C1
InChIInChI=1S/C9H17FN2/c1-11-4-8(5-11)6-12-3-2-9(10)7-12/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyAQARTLRVZWTFST-VIFPVBQESA-N
MW172.25 g/mol
LogP0.59
Rot. Bonds2

About (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine

(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine (PubChem CID 134177865) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
PubChem CID134177865
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
SMILESCN1CC(CN2CC[C@H](F)C2)C1
InChIInChI=1S/C9H17FN2/c1-11-4-8(5-11)6-12-3-2-9(10)7-12/h8-9H,2-7H2,1H3/t9-/m0/s1
InChIKeyAQARTLRVZWTFST-VIFPVBQESA-N
XLogP0.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
CID 166537025
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine (CID 134177865) is (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine is CN1CC(CN2CC[C@H](F)C2)C1.
What is the InChIKey of (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine?
The InChIKey is AQARTLRVZWTFST-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17FN2/c1-11-4-8(5-11)6-12-3-2-9(10)7-12/h8-9H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine?
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 134177865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).