7-bromo-5-fluoro-3-propan-2-yl-1H-indole

C11H11BrFN — CID 106985590

IUPAC7-bromo-5-fluoro-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFN/c1-6(2)9-5-14-11-8(9)3-7(13)4-10(11)12/h3-6,14H,1-2H3
InChIKeyPYWHYSYHEWRLHU-UHFFFAOYSA-N
MW256.12 g/mol
LogP4.19
Rot. Bonds1

About 7-bromo-5-fluoro-3-propan-2-yl-1H-indole

7-bromo-5-fluoro-3-propan-2-yl-1H-indole (PubChem CID 106985590) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-propan-2-yl-1H-indole
PubChem CID106985590
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name7-bromo-5-fluoro-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(Br)cc(F)cc12
InChIInChI=1S/C11H11BrFN/c1-6(2)9-5-14-11-8(9)3-7(13)4-10(11)12/h3-6,14H,1-2H3
InChIKeyPYWHYSYHEWRLHU-UHFFFAOYSA-N
XLogP4.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-propan-2-yl-1H-indole?
The IUPAC name of 7-bromo-5-fluoro-3-propan-2-yl-1H-indole (CID 106985590) is 7-bromo-5-fluoro-3-propan-2-yl-1H-indole.
What is the SMILES notation for 7-bromo-5-fluoro-3-propan-2-yl-1H-indole?
The canonical SMILES for 7-bromo-5-fluoro-3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2c(Br)cc(F)cc12.
What is the InChIKey of 7-bromo-5-fluoro-3-propan-2-yl-1H-indole?
The InChIKey is PYWHYSYHEWRLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-6(2)9-5-14-11-8(9)3-7(13)4-10(11)12/h3-6,14H,1-2H3.
What are the key properties of 7-bromo-5-fluoro-3-propan-2-yl-1H-indole?
7-bromo-5-fluoro-3-propan-2-yl-1H-indole has a molecular weight of 256.12 g/mol, XLogP of 4.19, 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-propan-2-yl-1H-indole is sourced from PubChem (CID 106985590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).