7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole

C13H11BrFNO — CID 113394348

IUPAC7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc2c1NCC2)c1occc1Br
InChIInChI=1S/C13H11BrFNO/c14-10-5-7-17-13(10)11(15)9-3-1-2-8-4-6-16-12(8)9/h1-3,5,7,11,16H,4,6H2
InChIKeyARDCWUSKDQVASL-UHFFFAOYSA-N
MW296.14 g/mol
LogP4.07
Rot. Bonds2

About 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole

7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole (PubChem CID 113394348) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
PubChem CID113394348
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFC(c1cccc2c1NCC2)c1occc1Br
InChIInChI=1S/C13H11BrFNO/c14-10-5-7-17-13(10)11(15)9-3-1-2-8-4-6-16-12(8)9/h1-3,5,7,11,16H,4,6H2
InChIKeyARDCWUSKDQVASL-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
7-[fluoro(pyrimidin-5-yl)methyl]-2,3-dihydro-1H-indole
CID 113394357
7-[3,4-dihydro-2H-pyran-6-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 102648261
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
7-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
7-[(3-cyclopropyloxyphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 114523652
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 55278047
7-(1-fluoro-2-pyridin-4-ylethyl)-2,3-dihydro-1H-indole
CID 113394346
7-[fluoro(oxan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 107138259
7-[fluoro-(2,2,5,5-tetramethyloxolan-3-yl)methyl]-2,3-dihydro-1H-indole
CID 114624523
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288
(3R)-3-amino-3-(2,3-dihydro-1H-indol-7-yl)propan-1-ol
CID 55264438

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole (CID 113394348) is 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole is FC(c1cccc2c1NCC2)c1occc1Br.
What is the InChIKey of 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole?
The InChIKey is ARDCWUSKDQVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-10-5-7-17-13(10)11(15)9-3-1-2-8-4-6-16-12(8)9/h1-3,5,7,11,16H,4,6H2.
What are the key properties of 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole?
7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole has a molecular weight of 296.14 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 113394348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).