3-(3-bromo-2-fluoropropyl)-1H-indole

C11H11BrFN — CID 134163131

IUPAC3-(3-bromo-2-fluoropropyl)-1H-indole
SMILESFC(CBr)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H11BrFN/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6H2
InChIKeyBKOYUQKZTBGAQL-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.44
Rot. Bonds3

About 3-(3-bromo-2-fluoropropyl)-1H-indole

3-(3-bromo-2-fluoropropyl)-1H-indole (PubChem CID 134163131) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoropropyl)-1H-indole.

Molecular Properties

Compound Name3-(3-bromo-2-fluoropropyl)-1H-indole
PubChem CID134163131
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name3-(3-bromo-2-fluoropropyl)-1H-indole
SMILESFC(CBr)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H11BrFN/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6H2
InChIKeyBKOYUQKZTBGAQL-UHFFFAOYSA-N
XLogP3.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
1-(4-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175092727

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluoropropyl)-1H-indole?
The IUPAC name of 3-(3-bromo-2-fluoropropyl)-1H-indole (CID 134163131) is 3-(3-bromo-2-fluoropropyl)-1H-indole.
What is the SMILES notation for 3-(3-bromo-2-fluoropropyl)-1H-indole?
The canonical SMILES for 3-(3-bromo-2-fluoropropyl)-1H-indole is FC(CBr)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(3-bromo-2-fluoropropyl)-1H-indole?
The InChIKey is BKOYUQKZTBGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-6-9(13)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6H2.
What are the key properties of 3-(3-bromo-2-fluoropropyl)-1H-indole?
3-(3-bromo-2-fluoropropyl)-1H-indole has a molecular weight of 256.12 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluoropropyl)-1H-indole is sourced from PubChem (CID 134163131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).