1-(3-fluoro-5-nitrophenyl)pyrrolidine

C10H11FN2O2 — CID 22636164

IUPAC1-(3-fluoro-5-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H11FN2O2/c11-8-5-9(12-3-1-2-4-12)7-10(6-8)13(14)15/h5-7H,1-4H2
InChIKeyJNWDNWMMRXIBMC-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-fluoro-5-nitrophenyl)pyrrolidine

1-(3-fluoro-5-nitrophenyl)pyrrolidine (PubChem CID 22636164) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 1-(3-fluoro-5-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-fluoro-5-nitrophenyl)pyrrolidine
PubChem CID22636164
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name1-(3-fluoro-5-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C10H11FN2O2/c11-8-5-9(12-3-1-2-4-12)7-10(6-8)13(14)15/h5-7H,1-4H2
InChIKeyJNWDNWMMRXIBMC-UHFFFAOYSA-N
XLogP2.33
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-5-nitrophenyl)-1,4-thiazepane 1,1-dioxide
CID 114083623
(3R)-1-(3-fluoro-5-nitrophenyl)piperidin-3-amine
CID 102986457
1-(3-fluoro-5-nitrophenyl)-4-methylpiperidin-4-ol
CID 81115093
4-(3-fluoro-5-nitrophenyl)piperazine-2,6-dione
CID 80748576
1-(3,5-difluorophenyl)pyrrolidine
CID 18454792
4-(3-fluoro-5-nitrophenyl)-2,2,6,6-tetramethylmorpholine
CID 102745011
1-(3-fluoro-5-nitrophenyl)-2,2-dimethylpyrrolidine
CID 80748110
1-(3,5-difluorophenyl)piperidine
CID 55251038
3-(3-fluoro-5-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314555
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-(3-fluoro-5-nitrophenyl)-2-methylpiperidine-4-carboxylic acid
CID 106742659
4-(3-fluoro-5-nitrophenyl)morpholine-2-carbonitrile
CID 80748458

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-nitrophenyl)pyrrolidine?
The IUPAC name of 1-(3-fluoro-5-nitrophenyl)pyrrolidine (CID 22636164) is 1-(3-fluoro-5-nitrophenyl)pyrrolidine.
What is the SMILES notation for 1-(3-fluoro-5-nitrophenyl)pyrrolidine?
The canonical SMILES for 1-(3-fluoro-5-nitrophenyl)pyrrolidine is O=[N+]([O-])c1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-nitrophenyl)pyrrolidine?
The InChIKey is JNWDNWMMRXIBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-5-9(12-3-1-2-4-12)7-10(6-8)13(14)15/h5-7H,1-4H2.
What are the key properties of 1-(3-fluoro-5-nitrophenyl)pyrrolidine?
1-(3-fluoro-5-nitrophenyl)pyrrolidine has a molecular weight of 210.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-nitrophenyl)pyrrolidine is sourced from PubChem (CID 22636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).