3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene

C18H16FNO2 — CID 159480545

IUPAC3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene
SMILESCc1ccc2c(c1)CC=C2C(C[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C18H16FNO2/c1-12-6-8-14-13(10-12)7-9-15(14)17(11-20(21)22)16-4-2-3-5-18(16)19/h2-6,8-10,17H,7,11H2,1H3
InChIKeyLWYFVGTURLIIBQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.13
Rot. Bonds4

About 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene

3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene (PubChem CID 159480545) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene
PubChem CID159480545
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene
SMILESCc1ccc2c(c1)CC=C2C(C[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C18H16FNO2/c1-12-6-8-14-13(10-12)7-9-15(14)17(11-20(21)22)16-4-2-3-5-18(16)19/h2-6,8-10,17H,7,11H2,1H3
InChIKeyLWYFVGTURLIIBQ-UHFFFAOYSA-N
XLogP4.13
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene?
The IUPAC name of 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene (CID 159480545) is 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene?
The canonical SMILES for 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene is Cc1ccc2c(c1)CC=C2C(C[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene?
The InChIKey is LWYFVGTURLIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12-6-8-14-13(10-12)7-9-15(14)17(11-20(21)22)16-4-2-3-5-18(16)19/h2-6,8-10,17H,7,11H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene?
3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene has a molecular weight of 297.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-2-nitroethyl]-6-methyl-1H-indene is sourced from PubChem (CID 159480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).