1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine

C12H24FNO — CID 166984387

IUPAC1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC)CCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-3-6-12(11-15-2)7-4-9-14(12)10-5-8-13/h3-11H2,1-2H3
InChIKeyIATMKOBPPHTMOC-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds7

About 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine

1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine (PubChem CID 166984387) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine
PubChem CID166984387
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine
SMILESCCCC1(COC)CCCN1CCCF
InChIInChI=1S/C12H24FNO/c1-3-6-12(11-15-2)7-4-9-14(12)10-5-8-13/h3-11H2,1-2H3
InChIKeyIATMKOBPPHTMOC-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine (CID 166984387) is 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine is CCCC1(COC)CCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine?
The InChIKey is IATMKOBPPHTMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-3-6-12(11-15-2)7-4-9-14(12)10-5-8-13/h3-11H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine?
1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-(methoxymethyl)-2-propylpyrrolidine is sourced from PubChem (CID 166984387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).