1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

C15H20FN3O2 — CID 107350255

IUPAC1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1cccc(CN2CCCC2C2CCCN2)c1F
InChIInChI=1S/C15H20FN3O2/c16-15-11(4-1-6-14(15)19(20)21)10-18-9-3-7-13(18)12-5-2-8-17-12/h1,4,6,12-13,17H,2-3,5,7-10H2
InChIKeyLIAUBXKQZDZZFM-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine

1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 107350255) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID107350255
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESO=[N+]([O-])c1cccc(CN2CCCC2C2CCCN2)c1F
InChIInChI=1S/C15H20FN3O2/c16-15-11(4-1-6-14(15)19(20)21)10-18-9-3-7-13(18)12-5-2-8-17-12/h1,4,6,12-13,17H,2-3,5,7-10H2
InChIKeyLIAUBXKQZDZZFM-UHFFFAOYSA-N
XLogP2.45
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
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

(2S)-1-[(2-fluoro-3-nitrophenyl)methyl]-2-methylpiperazine
CID 107350328
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 63256349
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 62274944
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
1-[(2-fluoro-3-nitrophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 107348349
6-[(2-nitrophenyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678475
4-[(2-fluoro-3-nitrophenyl)methyl]-2,3-dimethylthiomorpholine
CID 107348418
1-[(2-fluoro-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107348352
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107350161
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine (CID 107350255) is 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is O=[N+]([O-])c1cccc(CN2CCCC2C2CCCN2)c1F.
What is the InChIKey of 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is LIAUBXKQZDZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-15-11(4-1-6-14(15)19(20)21)10-18-9-3-7-13(18)12-5-2-8-17-12/h1,4,6,12-13,17H,2-3,5,7-10H2.
What are the key properties of 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 293.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-nitrophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 107350255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).