7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole

C15H17BrFN — CID 106985110

IUPAC7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole
SMILESCC1(c2c[nH]c3c(Br)cc(F)cc23)CCCCC1
InChIInChI=1S/C15H17BrFN/c1-15(5-3-2-4-6-15)12-9-18-14-11(12)7-10(17)8-13(14)16/h7-9,18H,2-6H2,1H3
InChIKeyBLOCKBNXQFIFQF-UHFFFAOYSA-N
MW310.21 g/mol
LogP5.29
Rot. Bonds1

About 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole

7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole (PubChem CID 106985110) has the molecular formula C15H17BrFN and a molecular weight of 310.21 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole
PubChem CID106985110
Molecular FormulaC15H17BrFN
Molecular Weight310.21 g/mol
Exact Mass309.05
IUPAC Name7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole
SMILESCC1(c2c[nH]c3c(Br)cc(F)cc23)CCCCC1
InChIInChI=1S/C15H17BrFN/c1-15(5-3-2-4-6-15)12-9-18-14-11(12)7-10(17)8-13(14)16/h7-9,18H,2-6H2,1H3
InChIKeyBLOCKBNXQFIFQF-UHFFFAOYSA-N
XLogP5.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.21
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole?
The IUPAC name of 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole (CID 106985110) is 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole.
What is the SMILES notation for 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole?
The canonical SMILES for 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole is CC1(c2c[nH]c3c(Br)cc(F)cc23)CCCCC1.
What is the InChIKey of 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole?
The InChIKey is BLOCKBNXQFIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN/c1-15(5-3-2-4-6-15)12-9-18-14-11(12)7-10(17)8-13(14)16/h7-9,18H,2-6H2,1H3.
What are the key properties of 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole?
7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole has a molecular weight of 310.21 g/mol, XLogP of 5.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-(1-methylcyclohexyl)-1H-indole is sourced from PubChem (CID 106985110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).