4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine

C9H18FNO — CID 138601807

IUPAC4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
SMILESCOC1C(F)CN(C)C1C(C)C
InChIInChI=1S/C9H18FNO/c1-6(2)8-9(12-4)7(10)5-11(8)3/h6-9H,5H2,1-4H3
InChIKeyLASRETJGHQNQDU-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.31
Rot. Bonds2

About 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine

4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 138601807) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID138601807
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
SMILESCOC1C(F)CN(C)C1C(C)C
InChIInChI=1S/C9H18FNO/c1-6(2)8-9(12-4)7(10)5-11(8)3/h6-9H,5H2,1-4H3
InChIKeyLASRETJGHQNQDU-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine (CID 138601807) is 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine is COC1C(F)CN(C)C1C(C)C.
What is the InChIKey of 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is LASRETJGHQNQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-6(2)8-9(12-4)7(10)5-11(8)3/h6-9H,5H2,1-4H3.
What are the key properties of 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine?
4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 138601807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).