1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole

C10H9FN2O2 — CID 57310080

IUPAC1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
SMILESO=[N+]([O-])c1ccc(N2CC=CC2)c(F)c1
InChIInChI=1S/C10H9FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h1-4,7H,5-6H2
InChIKeyUJCXCYWCPXRYEP-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole

1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole (PubChem CID 57310080) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
PubChem CID57310080
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
SMILESO=[N+]([O-])c1ccc(N2CC=CC2)c(F)c1
InChIInChI=1S/C10H9FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h1-4,7H,5-6H2
InChIKeyUJCXCYWCPXRYEP-UHFFFAOYSA-N
XLogP2.11
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 3763781
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
1-but-3-ynyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 47464030
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
2-(2-fluoro-4-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 47184706
[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2868624
(2S)-1-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66712296
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
CID 141075149
1-[5-fluoro-4-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 2871886
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole (CID 57310080) is 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole is O=[N+]([O-])c1ccc(N2CC=CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole?
The InChIKey is UJCXCYWCPXRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-9-7-8(13(14)15)3-4-10(9)12-5-1-2-6-12/h1-4,7H,5-6H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole?
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole has a molecular weight of 208.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 57310080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).