2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole

C14H11ClFN — CID 105395861

IUPAC2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)c(C2Cc3ccccc3N2)c1
InChIInChI=1S/C14H11ClFN/c15-12-6-5-10(16)8-11(12)14-7-9-3-1-2-4-13(9)17-14/h1-6,8,14,17H,7H2
InChIKeyPOWXURUJMBQYND-UHFFFAOYSA-N
MW247.70 g/mol
LogP4.19
Rot. Bonds1

About 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole

2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole (PubChem CID 105395861) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
PubChem CID105395861
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)c(C2Cc3ccccc3N2)c1
InChIInChI=1S/C14H11ClFN/c15-12-6-5-10(16)8-11(12)14-7-9-3-1-2-4-13(9)17-14/h1-6,8,14,17H,7H2
InChIKeyPOWXURUJMBQYND-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole (CID 105395861) is 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole is Fc1ccc(Cl)c(C2Cc3ccccc3N2)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
The InChIKey is POWXURUJMBQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN/c15-12-6-5-10(16)8-11(12)14-7-9-3-1-2-4-13(9)17-14/h1-6,8,14,17H,7H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole?
2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole has a molecular weight of 247.70 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 105395861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).