2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine

C12H15FN2O4 — CID 107260637

IUPAC2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
SMILESCOc1cc(OCC2CCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O4/c1-18-12-6-11(9(13)5-10(12)15(16)17)19-7-8-3-2-4-14-8/h5-6,8,14H,2-4,7H2,1H3
InChIKeyFMWOOSYRDUUKDR-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.87
Rot. Bonds5

About 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine

2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine (PubChem CID 107260637) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
PubChem CID107260637
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
SMILESCOc1cc(OCC2CCCN2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O4/c1-18-12-6-11(9(13)5-10(12)15(16)17)19-7-8-3-2-4-14-8/h5-6,8,14H,2-4,7H2,1H3
InChIKeyFMWOOSYRDUUKDR-UHFFFAOYSA-N
XLogP1.87
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 107260643
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
(2R)-2-[(4-methoxy-2-nitrophenoxy)methyl]pyrrolidine
CID 102820051
2-[(5-fluoro-4-iodo-2-nitrophenoxy)methyl]pyrrolidine
CID 66099909
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
4-fluoro-5-methoxy-2-nitro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 114794371
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 114416735
(2S)-2-[(4-bromo-2-nitrophenoxy)methyl]pyrrolidine
CID 94406471
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-methylpiperidin-3-amine
CID 107260546
2-methyl-6-nitro-5-(pyrrolidin-2-ylmethoxy)-1,3-benzothiazole
CID 62347924

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine?
The IUPAC name of 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine (CID 107260637) is 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine is COc1cc(OCC2CCCN2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine?
The InChIKey is FMWOOSYRDUUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-18-12-6-11(9(13)5-10(12)15(16)17)19-7-8-3-2-4-14-8/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine?
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine has a molecular weight of 270.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 107260637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).