6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole

C22H15F3N2O2 — CID 155532408

IUPAC6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole
SMILESO=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2cc(F)ccc12
InChIInChI=1S/C22H15F3N2O2/c23-14-5-3-4-13(10-14)22-21(17-9-8-15(24)11-20(17)26-22)18(12-27(28)29)16-6-1-2-7-19(16)25/h1-11,18,26H,12H2
InChIKeySUKVBSCBULHULM-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.66
Rot. Bonds5

About 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole

6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole (PubChem CID 155532408) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole
PubChem CID155532408
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole
SMILESO=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2cc(F)ccc12
InChIInChI=1S/C22H15F3N2O2/c23-14-5-3-4-13(10-14)22-21(17-9-8-15(24)11-20(17)26-22)18(12-27(28)29)16-6-1-2-7-19(16)25/h1-11,18,26H,12H2
InChIKeySUKVBSCBULHULM-UHFFFAOYSA-N
XLogP5.66
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole?
The IUPAC name of 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole (CID 155532408) is 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole.
What is the SMILES notation for 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole?
The canonical SMILES for 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole is O=[N+]([O-])CC(c1ccccc1F)c1c(-c2cccc(F)c2)[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole?
The InChIKey is SUKVBSCBULHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-14-5-3-4-13(10-14)22-21(17-9-8-15(24)11-20(17)26-22)18(12-27(28)29)16-6-1-2-7-19(16)25/h1-11,18,26H,12H2.
What are the key properties of 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole?
6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole has a molecular weight of 396.37 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole is sourced from PubChem (CID 155532408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).