1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole

C14H14FN — CID 22637900

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole
SMILESFC1(N2CCc3ccccc32)C=CC=CC1
InChIInChI=1S/C14H14FN/c15-14(9-4-1-5-10-14)16-11-8-12-6-2-3-7-13(12)16/h1-7,9H,8,10-11H2
InChIKeyWUMHRAMZUZUQDV-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.23
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole

1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole (PubChem CID 22637900) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole
PubChem CID22637900
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole
SMILESFC1(N2CCc3ccccc32)C=CC=CC1
InChIInChI=1S/C14H14FN/c15-14(9-4-1-5-10-14)16-11-8-12-6-2-3-7-13(12)16/h1-7,9H,8,10-11H2
InChIKeyWUMHRAMZUZUQDV-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole (CID 22637900) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole is FC1(N2CCc3ccccc32)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole?
The InChIKey is WUMHRAMZUZUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c15-14(9-4-1-5-10-14)16-11-8-12-6-2-3-7-13(12)16/h1-7,9H,8,10-11H2.
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole?
1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole has a molecular weight of 215.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroindole is sourced from PubChem (CID 22637900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).