4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine

C12H24FNO — CID 163514852

IUPAC4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine
SMILESCCOC1CC(C(C)C)N(CCCF)C1
InChIInChI=1S/C12H24FNO/c1-4-15-11-8-12(10(2)3)14(9-11)7-5-6-13/h10-12H,4-9H2,1-3H3
InChIKeyOHAZJSOBXKBNFL-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.48
Rot. Bonds6

About 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine

4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine (PubChem CID 163514852) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine
PubChem CID163514852
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine
SMILESCCOC1CC(C(C)C)N(CCCF)C1
InChIInChI=1S/C12H24FNO/c1-4-15-11-8-12(10(2)3)14(9-11)7-5-6-13/h10-12H,4-9H2,1-3H3
InChIKeyOHAZJSOBXKBNFL-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 3-ethyl-2-methyl-2-(3-methylbutyl)-
CID 4199499
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
(2R)-4-(1-fluoroethoxymethyl)-1,2-dimethylpyrrolidine
CID 129108293
4-Fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
CID 129229279
4-Fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
CID 138601807
(2R)-4-(1-fluoroethoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 139476962
2-[(2R,3S,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]oxy-N,N-dimethylethanamine
CID 146435756
(2S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518179
(2R)-2-ethyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518810

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine (CID 163514852) is 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine is CCOC1CC(C(C)C)N(CCCF)C1.
What is the InChIKey of 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine?
The InChIKey is OHAZJSOBXKBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-4-15-11-8-12(10(2)3)14(9-11)7-5-6-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine?
4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine has a molecular weight of 217.33 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 4-ethoxy-1-(3-fluoropropyl)-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 163514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).