2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole

C17H12ClFN2 — CID 118886858

IUPAC2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]c(Cc3c[nH]c4c(Cl)cccc34)cc2c1
InChIInChI=1S/C17H12ClFN2/c18-15-3-1-2-14-11(9-20-17(14)15)8-13-7-10-6-12(19)4-5-16(10)21-13/h1-7,9,20-21H,8H2
InChIKeyKRLSGDCZKJLPEG-UHFFFAOYSA-N
MW298.75 g/mol
LogP5.03
Rot. Bonds2

About 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole

2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole (PubChem CID 118886858) has the molecular formula C17H12ClFN2 and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
PubChem CID118886858
Molecular FormulaC17H12ClFN2
Molecular Weight298.75 g/mol
Exact Mass298.07
IUPAC Name2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]c(Cc3c[nH]c4c(Cl)cccc34)cc2c1
InChIInChI=1S/C17H12ClFN2/c18-15-3-1-2-14-11(9-20-17(14)15)8-13-7-10-6-12(19)4-5-16(10)21-13/h1-7,9,20-21H,8H2
InChIKeyKRLSGDCZKJLPEG-UHFFFAOYSA-N
XLogP5.03
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.75
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The IUPAC name of 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole (CID 118886858) is 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole.
What is the SMILES notation for 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The canonical SMILES for 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole is Fc1ccc2[nH]c(Cc3c[nH]c4c(Cl)cccc34)cc2c1.
What is the InChIKey of 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
The InChIKey is KRLSGDCZKJLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2/c18-15-3-1-2-14-11(9-20-17(14)15)8-13-7-10-6-12(19)4-5-16(10)21-13/h1-7,9,20-21H,8H2.
What are the key properties of 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole?
2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole has a molecular weight of 298.75 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole is sourced from PubChem (CID 118886858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).