1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine

C13H26FNO — CID 163977873

IUPAC1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCOCC1(CC(C)C)CCCN1CCCF
InChIInChI=1S/C13H26FNO/c1-12(2)10-13(11-16-3)6-4-8-15(13)9-5-7-14/h12H,4-11H2,1-3H3
InChIKeyFPPJJEJGFQKNGZ-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.87
Rot. Bonds7

About 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine

1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 163977873) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID163977873
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCOCC1(CC(C)C)CCCN1CCCF
InChIInChI=1S/C13H26FNO/c1-12(2)10-13(11-16-3)6-4-8-15(13)9-5-7-14/h12H,4-11H2,1-3H3
InChIKeyFPPJJEJGFQKNGZ-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.87
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-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine (CID 163977873) is 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine is COCC1(CC(C)C)CCCN1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is FPPJJEJGFQKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-12(2)10-13(11-16-3)6-4-8-15(13)9-5-7-14/h12H,4-11H2,1-3H3.
What are the key properties of 1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine?
1-(3-fluoropropyl)-2-(methoxymethyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 231.35 g/mol, XLogP of 2.87, 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-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 163977873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).