(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine

C12H16FNO — CID 134370499

IUPAC(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C12H16FNO/c1-9-3-4-10(7-12(9)13)14-6-5-11(8-14)15-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyZAUSPDIKGSXDMD-LLVKDONJSA-N
MW209.26 g/mol
LogP2.36
Rot. Bonds2

About (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine

(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine (PubChem CID 134370499) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine
PubChem CID134370499
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine
SMILESCO[C@@H]1CCN(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C12H16FNO/c1-9-3-4-10(7-12(9)13)14-6-5-11(8-14)15-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyZAUSPDIKGSXDMD-LLVKDONJSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine?
The IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine (CID 134370499) is (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine?
The canonical SMILES for (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine is CO[C@@H]1CCN(c2ccc(C)c(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine?
The InChIKey is ZAUSPDIKGSXDMD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-3-4-10(7-12(9)13)14-6-5-11(8-14)15-2/h3-4,7,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine?
(3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluoro-4-methylphenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 134370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).