3-(2,6-difluoro-3-nitrophenyl)pyrrolidine

C10H10F2N2O2 — CID 130039488

IUPAC3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(F)c(C2CCNC2)c1F
InChIInChI=1S/C10H10F2N2O2/c11-7-1-2-8(14(15)16)10(12)9(7)6-3-4-13-5-6/h1-2,6,13H,3-5H2
InChIKeyGLUCJEHVSIREKZ-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.95
Rot. Bonds2

About 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine

3-(2,6-difluoro-3-nitrophenyl)pyrrolidine (PubChem CID 130039488) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
PubChem CID130039488
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-(2,6-difluoro-3-nitrophenyl)pyrrolidine
SMILESO=[N+]([O-])c1ccc(F)c(C2CCNC2)c1F
InChIInChI=1S/C10H10F2N2O2/c11-7-1-2-8(14(15)16)10(12)9(7)6-3-4-13-5-6/h1-2,6,13H,3-5H2
InChIKeyGLUCJEHVSIREKZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
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

2,6-difluoro-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79773554
4-(3-fluoro-4-nitrophenyl)piperidine
CID 83403967
2-(2,6-difluoro-3-nitrophenyl)-1,3-dioxolane
CID 118095403
(3S)-3-(2-nitrophenyl)pyrrolidine
CID 95436908
3-(3,4-difluoro-5-nitrophenyl)piperidine
CID 117357182
N-ethyl-2,6-difluoro-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 79759439
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
3-fluoro-6-nitro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66519065
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
2,6-difluoro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-nitrobenzamide
CID 79758984
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine?
The IUPAC name of 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine (CID 130039488) is 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine.
What is the SMILES notation for 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine?
The canonical SMILES for 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine is O=[N+]([O-])c1ccc(F)c(C2CCNC2)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine?
The InChIKey is GLUCJEHVSIREKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-7-1-2-8(14(15)16)10(12)9(7)6-3-4-13-5-6/h1-2,6,13H,3-5H2.
What are the key properties of 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine?
3-(2,6-difluoro-3-nitrophenyl)pyrrolidine has a molecular weight of 228.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-nitrophenyl)pyrrolidine is sourced from PubChem (CID 130039488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).