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

C14H26FNO — CID 177009589

IUPAC3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CCC(CCF)C2)CC1
InChIInChI=1S/C14H26FNO/c1-12(2)17-11-14(5-6-14)10-16-8-4-13(9-16)3-7-15/h12-13H,3-11H2,1-2H3
InChIKeyFGYRHFXFTXPPJH-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.87
Rot. Bonds7

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

3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 177009589) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID177009589
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCC(C)OCC1(CN2CCC(CCF)C2)CC1
InChIInChI=1S/C14H26FNO/c1-12(2)17-11-14(5-6-14)10-16-8-4-13(9-16)3-7-15/h12-13H,3-11H2,1-2H3
InChIKeyFGYRHFXFTXPPJH-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 177009589) is 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CC(C)OCC1(CN2CCC(CCF)C2)CC1.
What is the InChIKey of 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is FGYRHFXFTXPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-12(2)17-11-14(5-6-14)10-16-8-4-13(9-16)3-7-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 243.37 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 3-(2-fluoroethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 177009589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).