7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole

C15H12BrF2N — CID 106647083

IUPAC7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFc1c(Br)cccc1C(F)c1cccc2c1NCC2
InChIInChI=1S/C15H12BrF2N/c16-12-6-2-4-10(14(12)18)13(17)11-5-1-3-9-7-8-19-15(9)11/h1-6,13,19H,7-8H2
InChIKeyMIDSIWZSHHIPTA-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.62
Rot. Bonds2

About 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole

7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole (PubChem CID 106647083) has the molecular formula C15H12BrF2N and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
PubChem CID106647083
Molecular FormulaC15H12BrF2N
Molecular Weight324.17 g/mol
Exact Mass323.01
IUPAC Name7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
SMILESFc1c(Br)cccc1C(F)c1cccc2c1NCC2
InChIInChI=1S/C15H12BrF2N/c16-12-6-2-4-10(14(12)18)13(17)11-5-1-3-9-7-8-19-15(9)11/h1-6,13,19H,7-8H2
InChIKeyMIDSIWZSHHIPTA-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(3-bromofuran-2-yl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 113394348
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-[(4-cyclobutylphenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 116507150
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426
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
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole
CID 103052163
7-[amino-(3-bromo-2-fluorophenyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107950641
7-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 16786288

Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole (CID 106647083) is 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole is Fc1c(Br)cccc1C(F)c1cccc2c1NCC2.
What is the InChIKey of 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
The InChIKey is MIDSIWZSHHIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N/c16-12-6-2-4-10(14(12)18)13(17)11-5-1-3-9-7-8-19-15(9)11/h1-6,13,19H,7-8H2.
What are the key properties of 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole?
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole has a molecular weight of 324.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 106647083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).