3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole

C14H7Cl3FN — CID 141042979

IUPAC3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole
SMILESFc1ccc(C2(Cl)C=Nc3ccc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C14H7Cl3FN/c15-8-1-4-13-11(5-8)14(17,7-19-13)10-3-2-9(18)6-12(10)16/h1-7H
InChIKeyIIFDLBBKWPEXKB-UHFFFAOYSA-N
MW314.57 g/mol
LogP5.33
Rot. Bonds1

About 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole

3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole (PubChem CID 141042979) has the molecular formula C14H7Cl3FN and a molecular weight of 314.57 g/mol. Its IUPAC name is 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole.

Molecular Properties

Compound Name3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole
PubChem CID141042979
Molecular FormulaC14H7Cl3FN
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole
SMILESFc1ccc(C2(Cl)C=Nc3ccc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C14H7Cl3FN/c15-8-1-4-13-11(5-8)14(17,7-19-13)10-3-2-9(18)6-12(10)16/h1-7H
InChIKeyIIFDLBBKWPEXKB-UHFFFAOYSA-N
XLogP5.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole?
The IUPAC name of 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole (CID 141042979) is 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole.
What is the SMILES notation for 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole?
The canonical SMILES for 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole is Fc1ccc(C2(Cl)C=Nc3ccc(Cl)cc32)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole?
The InChIKey is IIFDLBBKWPEXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3FN/c15-8-1-4-13-11(5-8)14(17,7-19-13)10-3-2-9(18)6-12(10)16/h1-7H.
What are the key properties of 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole?
3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole has a molecular weight of 314.57 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-3-(2-chloro-4-fluorophenyl)indole is sourced from PubChem (CID 141042979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).