1-bromopropane;5-fluoro-1H-indole

C11H13BrFN — CID 175237737

IUPAC1-bromopropane;5-fluoro-1H-indole
SMILESCCCBr.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.C3H7Br/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3-4/h1-5,10H;2-3H2,1H3
InChIKeyPBCDMHLRCFTAEV-UHFFFAOYSA-N
MW258.13 g/mol
LogP4.10
Rot. Bonds1

About 1-bromopropane;5-fluoro-1H-indole

1-bromopropane;5-fluoro-1H-indole (PubChem CID 175237737) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-bromopropane;5-fluoro-1H-indole.

Molecular Properties

Compound Name1-bromopropane;5-fluoro-1H-indole
PubChem CID175237737
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-bromopropane;5-fluoro-1H-indole
SMILESCCCBr.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.C3H7Br/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3-4/h1-5,10H;2-3H2,1H3
InChIKeyPBCDMHLRCFTAEV-UHFFFAOYSA-N
XLogP4.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropane;5-fluoro-1H-indole?
The IUPAC name of 1-bromopropane;5-fluoro-1H-indole (CID 175237737) is 1-bromopropane;5-fluoro-1H-indole.
What is the SMILES notation for 1-bromopropane;5-fluoro-1H-indole?
The canonical SMILES for 1-bromopropane;5-fluoro-1H-indole is CCCBr.Fc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-bromopropane;5-fluoro-1H-indole?
The InChIKey is PBCDMHLRCFTAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN.C3H7Br/c9-7-1-2-8-6(5-7)3-4-10-8;1-2-3-4/h1-5,10H;2-3H2,1H3.
What are the key properties of 1-bromopropane;5-fluoro-1H-indole?
1-bromopropane;5-fluoro-1H-indole has a molecular weight of 258.13 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropane;5-fluoro-1H-indole is sourced from PubChem (CID 175237737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).