3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine

C9H18FNO — CID 122547217

IUPAC3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCN(C)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9(10)4-5-11(3)6-9/h8H,4-7H2,1-3H3
InChIKeyIYTKFLJGEXHFGL-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine

3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 122547217) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
PubChem CID122547217
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1(F)CCN(C)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-7-9(10)4-5-11(3)6-9/h8H,4-7H2,1-3H3
InChIKeyIYTKFLJGEXHFGL-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine (CID 122547217) is 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1(F)CCN(C)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is IYTKFLJGEXHFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-7-9(10)4-5-11(3)6-9/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine?
3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 122547217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).