4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole

C16H13FN2O2 — CID 82783089

IUPAC4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole
SMILESO=[N+]([O-])c1ccccc1CCn1ccc2c(F)cccc21
InChIInChI=1S/C16H13FN2O2/c17-14-5-3-7-16-13(14)9-11-18(16)10-8-12-4-1-2-6-15(12)19(20)21/h1-7,9,11H,8,10H2
InChIKeyVFJCOCRFKBOBBH-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.93
Rot. Bonds4

About 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole

4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole (PubChem CID 82783089) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole.

Molecular Properties

Compound Name4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole
PubChem CID82783089
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole
SMILESO=[N+]([O-])c1ccccc1CCn1ccc2c(F)cccc21
InChIInChI=1S/C16H13FN2O2/c17-14-5-3-7-16-13(14)9-11-18(16)10-8-12-4-1-2-6-15(12)19(20)21/h1-7,9,11H,8,10H2
InChIKeyVFJCOCRFKBOBBH-UHFFFAOYSA-N
XLogP3.93
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.93
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-nitro-1-(2-phenoxyethyl)indole
CID 115635424
4-nitro-1-(2-phenylsulfanylethyl)indole
CID 116623422
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
1-[(3,4-difluorophenyl)methyl]-4-nitroindole
CID 115651045
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
1-(4-methylpentyl)-4-nitroindole
CID 116623453
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]ethanone
CID 79106811
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
3-[2-(2-nitrophenyl)ethyl]-1,3-thiazol-2-one
CID 116622699
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole?
The IUPAC name of 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole (CID 82783089) is 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole.
What is the SMILES notation for 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole?
The canonical SMILES for 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole is O=[N+]([O-])c1ccccc1CCn1ccc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole?
The InChIKey is VFJCOCRFKBOBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-5-3-7-16-13(14)9-11-18(16)10-8-12-4-1-2-6-15(12)19(20)21/h1-7,9,11H,8,10H2.
What are the key properties of 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole?
4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole has a molecular weight of 284.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(2-nitrophenyl)ethyl]indole is sourced from PubChem (CID 82783089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).