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

C14H14FN — CID 22638353

IUPAC2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole
SMILESFC1(N2Cc3ccccc3C2)C=CC=CC1
InChIInChI=1S/C14H14FN/c15-14(8-4-1-5-9-14)16-10-12-6-2-3-7-13(12)11-16/h1-8H,9-11H2
InChIKeyMEPUUWBIQKSWNA-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.18
Rot. Bonds1

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

2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole (PubChem CID 22638353) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole
PubChem CID22638353
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole
SMILESFC1(N2Cc3ccccc3C2)C=CC=CC1
InChIInChI=1S/C14H14FN/c15-14(8-4-1-5-9-14)16-10-12-6-2-3-7-13(12)11-16/h1-8H,9-11H2
InChIKeyMEPUUWBIQKSWNA-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole (CID 22638353) is 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole is FC1(N2Cc3ccccc3C2)C=CC=CC1.
What is the InChIKey of 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole?
The InChIKey is MEPUUWBIQKSWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c15-14(8-4-1-5-9-14)16-10-12-6-2-3-7-13(12)11-16/h1-8H,9-11H2.
What are the key properties of 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole?
2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole has a molecular weight of 215.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexa-2,4-dien-1-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 22638353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).