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

C9H18FNO — CID 145325773

IUPAC4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine
SMILESCOC1C(F)CN(C(C)C)C1C
InChIInChI=1S/C9H18FNO/c1-6(2)11-5-8(10)9(12-4)7(11)3/h6-9H,5H2,1-4H3
InChIKeyLWFZRXIQNUNBEA-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.45
Rot. Bonds2

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

4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 145325773) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID145325773
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine
SMILESCOC1C(F)CN(C(C)C)C1C
InChIInChI=1S/C9H18FNO/c1-6(2)11-5-8(10)9(12-4)7(11)3/h6-9H,5H2,1-4H3
InChIKeyLWFZRXIQNUNBEA-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine (CID 145325773) is 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine is COC1C(F)CN(C(C)C)C1C.
What is the InChIKey of 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is LWFZRXIQNUNBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-6(2)11-5-8(10)9(12-4)7(11)3/h6-9H,5H2,1-4H3.
What are the key properties of 4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine?
4-fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.45, 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-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 145325773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).