1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine

C11H20FNO — CID 164904090

IUPAC1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
SMILESCCOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C11H20FNO/c1-2-14-9-11(4-5-11)8-13-6-3-10(12)7-13/h10H,2-9H2,1H3
InChIKeyRDMGVDUMTHZYCH-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds5

About 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine

1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine (PubChem CID 164904090) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
PubChem CID164904090
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
SMILESCCOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C11H20FNO/c1-2-14-9-11(4-5-11)8-13-6-3-10(12)7-13/h10H,2-9H2,1H3
InChIKeyRDMGVDUMTHZYCH-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217
(3S)-3-fluoro-1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364499
1-(3-Ethoxypropyl)-3-fluoropyrrolidine
CID 142317673
(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 145385533
(3S)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 149506070
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
(3S)-3-fluoro-1-[[1-(1-methylsulfanylethoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061283
[1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 158958033

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The IUPAC name of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine (CID 164904090) is 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine.
What is the SMILES notation for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The canonical SMILES for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine is CCOCC1(CN2CCC(F)C2)CC1.
What is the InChIKey of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
The InChIKey is RDMGVDUMTHZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-2-14-9-11(4-5-11)8-13-6-3-10(12)7-13/h10H,2-9H2,1H3.
What are the key properties of 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine?
1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 164904090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).