1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine

C12H24FNO — CID 163614757

IUPAC1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
SMILESCOCC1CCC(C(C)C)N1CCCF
InChIInChI=1S/C12H24FNO/c1-10(2)12-6-5-11(9-15-3)14(12)8-4-7-13/h10-12H,4-9H2,1-3H3
InChIKeyMANOBHQNDLKNEP-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.48
Rot. Bonds6

About 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine

1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine (PubChem CID 163614757) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
PubChem CID163614757
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine
SMILESCOCC1CCC(C(C)C)N1CCCF
InChIInChI=1S/C12H24FNO/c1-10(2)12-6-5-11(9-15-3)14(12)8-4-7-13/h10-12H,4-9H2,1-3H3
InChIKeyMANOBHQNDLKNEP-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.48
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)-5-propan-2-ylpyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine (CID 163614757) is 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine is COCC1CCC(C(C)C)N1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine?
The InChIKey is MANOBHQNDLKNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)12-6-5-11(9-15-3)14(12)8-4-7-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine?
1-(3-fluoropropyl)-2-(methoxymethyl)-5-propan-2-ylpyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.48, 6 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)-5-propan-2-ylpyrrolidine is sourced from PubChem (CID 163614757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).