(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine

C9H18FNO — CID 166929391

IUPAC(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine
SMILESCOC[C@@H](C)C1C[C@@H](F)CN1C
InChIInChI=1S/C9H18FNO/c1-7(6-12-3)9-4-8(10)5-11(9)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyMUJYWIHLQYPIIA-ZAZKALAHSA-N
MW175.25 g/mol
LogP1.31
Rot. Bonds3

About (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine

(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine (PubChem CID 166929391) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine
PubChem CID166929391
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine
SMILESCOC[C@@H](C)C1C[C@@H](F)CN1C
InChIInChI=1S/C9H18FNO/c1-7(6-12-3)9-4-8(10)5-11(9)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m1/s1
InChIKeyMUJYWIHLQYPIIA-ZAZKALAHSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine?
The IUPAC name of (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine (CID 166929391) is (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine?
The canonical SMILES for (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine is COC[C@@H](C)C1C[C@@H](F)CN1C.
What is the InChIKey of (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine?
The InChIKey is MUJYWIHLQYPIIA-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(6-12-3)9-4-8(10)5-11(9)2/h7-9H,4-6H2,1-3H3/t7-,8-,9?/m1/s1.
What are the key properties of (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine?
(4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-2-[(2S)-1-methoxypropan-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 166929391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).