2-(4-fluorophenyl)-6,7-dimethyl-1H-indole

C16H14FN — CID 131886920

IUPAC2-(4-fluorophenyl)-6,7-dimethyl-1H-indole
SMILESCc1ccc2cc(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C16H14FN/c1-10-3-4-13-9-15(18-16(13)11(10)2)12-5-7-14(17)8-6-12/h3-9,18H,1-2H3
InChIKeyHDKNBURWGAQKFZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.59
Rot. Bonds1

About 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole

2-(4-fluorophenyl)-6,7-dimethyl-1H-indole (PubChem CID 131886920) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dimethyl-1H-indole
PubChem CID131886920
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name2-(4-fluorophenyl)-6,7-dimethyl-1H-indole
SMILESCc1ccc2cc(-c3ccc(F)cc3)[nH]c2c1C
InChIInChI=1S/C16H14FN/c1-10-3-4-13-9-15(18-16(13)11(10)2)12-5-7-14(17)8-6-12/h3-9,18H,1-2H3
InChIKeyHDKNBURWGAQKFZ-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole (CID 131886920) is 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole is Cc1ccc2cc(-c3ccc(F)cc3)[nH]c2c1C.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole?
The InChIKey is HDKNBURWGAQKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-10-3-4-13-9-15(18-16(13)11(10)2)12-5-7-14(17)8-6-12/h3-9,18H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole?
2-(4-fluorophenyl)-6,7-dimethyl-1H-indole has a molecular weight of 239.29 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dimethyl-1H-indole is sourced from PubChem (CID 131886920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).