1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine

C14H13FN2O2S — CID 42960310

IUPAC1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2c2cccs2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-9-10(17(18)19)5-6-12(11)16-7-1-3-13(16)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyIVCCHTHHFFEJTC-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine

1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine (PubChem CID 42960310) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine
PubChem CID42960310
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine
SMILESO=[N+]([O-])c1ccc(N2CCCC2c2cccs2)c(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-11-9-10(17(18)19)5-6-12(11)16-7-1-3-13(16)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyIVCCHTHHFFEJTC-UHFFFAOYSA-N
XLogP4.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
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

1-(4-nitrophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 43001355
2-(4-nitrophenyl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51152877
1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole
CID 47121042
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-amino-5-nitrobenzoate
CID 55371379
(3aS)-7-nitro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 11075312
(2R)-N-(2-methoxy-5-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500032
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-(4-nitrophenyl)-4-thiophen-2-ylazetidin-2-one
CID 15496312
2-(2-fluoro-4-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 47184706

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine (CID 42960310) is 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine is O=[N+]([O-])c1ccc(N2CCCC2c2cccs2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine?
The InChIKey is IVCCHTHHFFEJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-9-10(17(18)19)5-6-12(11)16-7-1-3-13(16)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine?
1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine has a molecular weight of 292.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-2-thiophen-2-ylpyrrolidine is sourced from PubChem (CID 42960310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).