1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine

C12H15FN2O3 — CID 62665257

IUPAC1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine
SMILESO=[N+]([O-])c1c(F)cccc1OCCN1CCCC1
InChIInChI=1S/C12H15FN2O3/c13-10-4-3-5-11(12(10)15(16)17)18-9-8-14-6-1-2-7-14/h3-5H,1-2,6-9H2
InChIKeyJELVWGPLCGAWQG-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine

1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine (PubChem CID 62665257) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine
PubChem CID62665257
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine
SMILESO=[N+]([O-])c1c(F)cccc1OCCN1CCCC1
InChIInChI=1S/C12H15FN2O3/c13-10-4-3-5-11(12(10)15(16)17)18-9-8-14-6-1-2-7-14/h3-5H,1-2,6-9H2
InChIKeyJELVWGPLCGAWQG-UHFFFAOYSA-N
XLogP2.21
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 53255561
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CID 63504973
N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
1-but-2-enoxy-3-fluoro-2-nitrobenzene
CID 76948199
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
1-[(4-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 65125963
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
(4-fluorophenyl)-[4-[2-(2-nitrophenoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 60501236
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(4-fluoro-2-nitrophenoxy)ethyl]piperazine
CID 62368022
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 43472931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine (CID 62665257) is 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine is O=[N+]([O-])c1c(F)cccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine?
The InChIKey is JELVWGPLCGAWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-10-4-3-5-11(12(10)15(16)17)18-9-8-14-6-1-2-7-14/h3-5H,1-2,6-9H2.
What are the key properties of 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine?
1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine has a molecular weight of 254.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-2-nitrophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 62665257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).