(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine

C12H16FN — CID 126557725

IUPAC(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
SMILESC[C@@H]1[C@H](F)CCN1Cc1ccccc1
InChIInChI=1S/C12H16FN/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyFDDGHFYYQNILDK-ZYHUDNBSSA-N
MW193.27 g/mol
LogP2.62
Rot. Bonds2

About (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine

(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine (PubChem CID 126557725) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
PubChem CID126557725
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
SMILESC[C@@H]1[C@H](F)CCN1Cc1ccccc1
InChIInChI=1S/C12H16FN/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyFDDGHFYYQNILDK-ZYHUDNBSSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
1-benzyl-N-methylazetidin-2-amine
CID 57429452
1-benzyl-2-fluoropiperidine
CID 54431864
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
ethyl (2S)-2-[(2R,3S)-1-benzyl-3-fluoropyrrolidin-2-yl]propanoate
CID 101156135

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine?
The IUPAC name of (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine (CID 126557725) is (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine.
What is the SMILES notation for (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine?
The canonical SMILES for (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine is C[C@@H]1[C@H](F)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine?
The InChIKey is FDDGHFYYQNILDK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16FN/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine?
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine has a molecular weight of 193.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine is sourced from PubChem (CID 126557725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).