3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine

C8H16FNO — CID 122547246

IUPAC3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CN(C)CC1F
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-10(3)4-7(8)9/h6-8H,4-5H2,1-3H3
InChIKeyJQLLQGVAUUDCOY-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.06
Rot. Bonds2

About 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine

3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine (PubChem CID 122547246) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine
PubChem CID122547246
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine
SMILESCC(C)OC1CN(C)CC1F
InChIInChI=1S/C8H16FNO/c1-6(2)11-8-5-10(3)4-7(8)9/h6-8H,4-5H2,1-3H3
InChIKeyJQLLQGVAUUDCOY-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3,3-Difluoro-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57585794
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093
(3S)-3-fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58215858
(3S)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222004
(3R)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222091
(3S)-3-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 58968845

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine?
The IUPAC name of 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine (CID 122547246) is 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine.
What is the SMILES notation for 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine?
The canonical SMILES for 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine is CC(C)OC1CN(C)CC1F.
What is the InChIKey of 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine?
The InChIKey is JQLLQGVAUUDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)11-8-5-10(3)4-7(8)9/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine?
3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-propan-2-yloxypyrrolidine is sourced from PubChem (CID 122547246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).