3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

C13H24FNO — CID 177009398

IUPAC3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CCC(CF)C2)CC1
InChIInChI=1S/C13H24FNO/c1-11(2)16-10-13(4-5-13)9-15-6-3-12(7-14)8-15/h11-12H,3-10H2,1-2H3
InChIKeyKGFRVOPQVLOVHH-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds6

About 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 177009398) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID177009398
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CCC(CF)C2)CC1
InChIInChI=1S/C13H24FNO/c1-11(2)16-10-13(4-5-13)9-15-6-3-12(7-14)8-15/h11-12H,3-10H2,1-2H3
InChIKeyKGFRVOPQVLOVHH-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 177009398) is 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CC(C)OCC1(CN2CCC(CF)C2)CC1.
What is the InChIKey of 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is KGFRVOPQVLOVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11(2)16-10-13(4-5-13)9-15-6-3-12(7-14)8-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 229.34 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 3-(fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 177009398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).