6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole

C19H18FN — CID 90378948

IUPAC6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole
SMILESCCc1cc2cc(-c3ccc(F)cc3)[nH]c2cc1C1CC1
InChIInChI=1S/C19H18FN/c1-2-12-9-15-10-18(14-5-7-16(20)8-6-14)21-19(15)11-17(12)13-3-4-13/h5-11,13,21H,2-4H2,1H3
InChIKeyRFNKFVKZGCLNHB-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.41
Rot. Bonds3

About 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole

6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole (PubChem CID 90378948) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole.

Molecular Properties

Compound Name6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole
PubChem CID90378948
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole
SMILESCCc1cc2cc(-c3ccc(F)cc3)[nH]c2cc1C1CC1
InChIInChI=1S/C19H18FN/c1-2-12-9-15-10-18(14-5-7-16(20)8-6-14)21-19(15)11-17(12)13-3-4-13/h5-11,13,21H,2-4H2,1H3
InChIKeyRFNKFVKZGCLNHB-UHFFFAOYSA-N
XLogP5.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole?
The IUPAC name of 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole (CID 90378948) is 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole.
What is the SMILES notation for 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole?
The canonical SMILES for 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole is CCc1cc2cc(-c3ccc(F)cc3)[nH]c2cc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole?
The InChIKey is RFNKFVKZGCLNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-2-12-9-15-10-18(14-5-7-16(20)8-6-14)21-19(15)11-17(12)13-3-4-13/h5-11,13,21H,2-4H2,1H3.
What are the key properties of 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole?
6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole has a molecular weight of 279.36 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole is sourced from PubChem (CID 90378948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).