4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine

C14H18FN3O3 — CID 63171297

IUPAC4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H18FN3O3/c15-12-2-1-3-13(14(12)18(19)20)17-5-4-11(10-17)16-6-8-21-9-7-16/h1-3,11H,4-10H2
InChIKeyZYSFDYLHJBWXEY-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.64
Rot. Bonds3

About 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine

4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine (PubChem CID 63171297) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
PubChem CID63171297
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H18FN3O3/c15-12-2-1-3-13(14(12)18(19)20)17-5-4-11(10-17)16-6-8-21-9-7-16/h1-3,11H,4-10H2
InChIKeyZYSFDYLHJBWXEY-UHFFFAOYSA-N
XLogP1.64
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
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

4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168190
1-(3-fluoro-2-nitrophenyl)-4-(1-methylpiperidin-3-yl)piperazine
CID 133315610
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
4-(3-fluoro-2-nitrophenyl)-2-methyl-1,4-oxazepane
CID 55141737
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170469
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
[1-(3-fluoro-2-nitrophenyl)-4-methylpiperidin-3-yl]methanamine
CID 114961683
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
CID 144594517
6-(3-morpholin-4-ylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80812097

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine (CID 63171297) is 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine is O=[N+]([O-])c1c(F)cccc1N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine?
The InChIKey is ZYSFDYLHJBWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-12-2-1-3-13(14(12)18(19)20)17-5-4-11(10-17)16-6-8-21-9-7-16/h1-3,11H,4-10H2.
What are the key properties of 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine?
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine has a molecular weight of 295.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63171297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).