3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine

C12H23FN2 — CID 123743172

IUPAC3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine
SMILESCC(CC1CCN(C)C1)N1CCC(F)C1
InChIInChI=1S/C12H23FN2/c1-10(15-6-4-12(13)9-15)7-11-3-5-14(2)8-11/h10-12H,3-9H2,1-2H3
InChIKeyHNACISOBDUYJFL-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds3

About 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine

3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine (PubChem CID 123743172) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine
PubChem CID123743172
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine
SMILESCC(CC1CCN(C)C1)N1CCC(F)C1
InChIInChI=1S/C12H23FN2/c1-10(15-6-4-12(13)9-15)7-11-3-5-14(2)8-11/h10-12H,3-9H2,1-2H3
InChIKeyHNACISOBDUYJFL-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine?
The IUPAC name of 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine (CID 123743172) is 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine?
The canonical SMILES for 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine is CC(CC1CCN(C)C1)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine?
The InChIKey is HNACISOBDUYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-10(15-6-4-12(13)9-15)7-11-3-5-14(2)8-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine?
3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine has a molecular weight of 214.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 123743172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).