2-(4-fluorophenyl)-1,3-dihydroisoindole

C14H12FN — CID 955436

IUPAC2-(4-fluorophenyl)-1,3-dihydroisoindole
SMILESFc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H12FN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2
InChIKeyBXHFJLVANNYCTL-UHFFFAOYSA-N
MW213.26 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-dihydroisoindole

2-(4-fluorophenyl)-1,3-dihydroisoindole (PubChem CID 955436) has the molecular formula C14H12FN and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-dihydroisoindole
PubChem CID955436
Molecular FormulaC14H12FN
Molecular Weight213.26 g/mol
Exact Mass213.10
IUPAC Name2-(4-fluorophenyl)-1,3-dihydroisoindole
SMILESFc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H12FN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2
InChIKeyBXHFJLVANNYCTL-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4-fluorophenyl)-1,3-dihydroisoindole (CID 955436) is 2-(4-fluorophenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-dihydroisoindole is Fc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-dihydroisoindole?
The InChIKey is BXHFJLVANNYCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN/c15-13-5-7-14(8-6-13)16-9-11-3-1-2-4-12(11)10-16/h1-8H,9-10H2.
What are the key properties of 2-(4-fluorophenyl)-1,3-dihydroisoindole?
2-(4-fluorophenyl)-1,3-dihydroisoindole has a molecular weight of 213.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).