2-(3-chloro-4-fluorophenyl)-1H-indole

C14H9ClFN — CID 2736577

IUPAC2-(3-chloro-4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H9ClFN/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKeyQNYJRNHACDLRSI-UHFFFAOYSA-N
MW245.68 g/mol
LogP4.63
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-1H-indole

2-(3-chloro-4-fluorophenyl)-1H-indole (PubChem CID 2736577) has the molecular formula C14H9ClFN and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1H-indole
PubChem CID2736577
Molecular FormulaC14H9ClFN
Molecular Weight245.68 g/mol
Exact Mass245.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-1H-indole
SMILESFc1ccc(-c2cc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H9ClFN/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKeyQNYJRNHACDLRSI-UHFFFAOYSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1H-indole?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1H-indole (CID 2736577) is 2-(3-chloro-4-fluorophenyl)-1H-indole.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1H-indole?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1H-indole is Fc1ccc(-c2cc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1H-indole?
The InChIKey is QNYJRNHACDLRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN/c15-11-7-10(5-6-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1H-indole?
2-(3-chloro-4-fluorophenyl)-1H-indole has a molecular weight of 245.68 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1H-indole is sourced from PubChem (CID 2736577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).