4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

C12H24FNO — CID 176568719

IUPAC4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)CC(F)CN1C
InChIInChI=1S/C12H24FNO/c1-5-6-12(9-15-10(2)3)7-11(13)8-14(12)4/h10-11H,5-9H2,1-4H3
InChIKeyKEWRAQSCEPOCRJ-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.62
Rot. Bonds5

About 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine

4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (PubChem CID 176568719) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
PubChem CID176568719
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC(C)C)CC(F)CN1C
InChIInChI=1S/C12H24FNO/c1-5-6-12(9-15-10(2)3)7-11(13)8-14(12)4/h10-11H,5-9H2,1-4H3
InChIKeyKEWRAQSCEPOCRJ-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine (CID 176568719) is 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is CCCC1(COC(C)C)CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
The InChIKey is KEWRAQSCEPOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-5-6-12(9-15-10(2)3)7-11(13)8-14(12)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine?
4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine is sourced from PubChem (CID 176568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).