4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole

C12H13BrFNO — CID 146013083

IUPAC4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole
SMILESFC1(CN2CCc3c(Br)cccc32)COC1
InChIInChI=1S/C12H13BrFNO/c13-10-2-1-3-11-9(10)4-5-15(11)6-12(14)7-16-8-12/h1-3H,4-8H2
InChIKeyRQKNJXWISULEPV-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.55
Rot. Bonds2

About 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole

4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole (PubChem CID 146013083) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole
PubChem CID146013083
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole
SMILESFC1(CN2CCc3c(Br)cccc32)COC1
InChIInChI=1S/C12H13BrFNO/c13-10-2-1-3-11-9(10)4-5-15(11)6-12(14)7-16-8-12/h1-3H,4-8H2
InChIKeyRQKNJXWISULEPV-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole (CID 146013083) is 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole is FC1(CN2CCc3c(Br)cccc32)COC1.
What is the InChIKey of 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole?
The InChIKey is RQKNJXWISULEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c13-10-2-1-3-11-9(10)4-5-15(11)6-12(14)7-16-8-12/h1-3H,4-8H2.
What are the key properties of 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole?
4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole has a molecular weight of 286.14 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-fluorooxetan-3-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 146013083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).